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Solubility is one of the fundamental physicochemical properties of drug candidates, and early assessment of solubility properties can better interpret in vitro results and provide valuable information for the design of new molecules. Compounds with low solubility often produce erroneous results during functional assays, thus increasing the risk of obtaining false hits or leads. Measuring solubility at an early stage of the drug discovery process can identify potentially ambiguous activity data, such as false negatives due to poor solubility. The high solubility and good theoretical membrane permeability of soluble carboxylic acid fragment molecules can better address the limiting factors in drug discovery. Features:- (1) Soluble carboxylic acid fragment compounds: 1509. - (2) Soluble fluorinated carboxylic acid fragment molecules: 122. - (3) Soluble diverse carboxylic acid fragment molecules: 103. - (4) Highly soluble carboxylic acid fragment molecules: 352. Uses: Scientific use. Product Category: L7870. Categories: Carboxylic Acid Fragment Libraries With Solubility.
Drug-FragmentLibrary
Quantity: 1159 drug fragments?a must-have tool for FBDD; - Physiochemical properties: 53% of fragments are Ro3 compliant?and all fragments matching with approved drugs or clinical compounds will have the best drug potential; - Quality guaranteed: NMR and HPLC/LCMS validated to ensure high purity and quality; - Applicable to various detection methods: suitable for SPR, NMR, and X-ray crystallization screening. Uses: Scientific use. Product Category: L8800. Categories: Drug-Fragment Libraries.
Featured FragmentLibrary
A unique collection of 246 fragment-like small molecules for FBDD; - NMR and HPLC/LCMS validated to ensure high purity and quality. Uses: Scientific use. Product Category: L5700. Categories: Featured Fragment Libraries.
High Solubility 3D Diversity FragmentLibrary
Traditional drug research and development are mainly based on natural active products or screening new drugs from existing compound data, but this method is highly random, blind, and inefficient. Medicinal chemists subsequently developed high-throughput screening (HTS) methods for drug discovery. Many pharmaceutical companies have also established compound libraries containing millions of small molecules and discovered many drug candidates. However, in drug screening with complex targets, HTS has been repeatedly frustrated. It is difficult to screen high-potential compounds, or the screened compounds have high false positives and poor drug-like properties. In this context, Fragment-based drug design (FBDD) came into being. Organic synthesis can transform miniature hits into effective lead compounds. The deficiencies in the current screening of compound libraries usually result in the need for a large amount of synthetic investment to achieve multi-directional fragment growth, which limits the efficiency of the mini-fragment hit modification process. To meet this challenge, we designed a library of highly soluble 3D structural diversity fragments. The utility of X-ray-based fragment screening and the ability to achieve rapid analog synthesis: Uses: Scientific use. Product Category: L7850. Categories: High Solubility 3D Diversity Fragment Libraries.
High Solubility FragLite FragmentLibrary
The theoretical basis of FBDD is to select favorable fragment combinations or extensions to obtain new drug molecules, with a higher probability of obtaining highly active drug candidates. Compared with the screening of millions of macromolecules, thousands of fragment molecules can be combined to form millions of drug structures, which are easier to collect and manage. In addition, fragments have smaller molecular weights, relatively higher solubility, and easier structural optimization. The potential of over-the-counter medicine is higher. The FragLites identify productive drug-like interactions, which are identified sensitively and unambiguously by X-ray crystallography, exploiting the anomalous scattering of the halogen substituent. This mapping of protein interaction surfaces provides an assessment of druggability and can identify efficient start points for the de novo design of hit molecules incorporating the interacting motifs. Combine fragments from FragLites to generate fragment lead compounds: Uses: Scientific use. Product Category: L7840. Categories: High Solubility FragLite Fragment Libraries.
High Solubility FragmentLibrary
More diversity: structurally diverse, medicinally active, and unique chemistry (strong IP potential); - More opportunity for further scaffold modification; - Attractively priced. Uses: Scientific use. Product Category: L7800. Categories: High Solubility Fragment Libraries.
High Solubility Micro FragmentLibrary
The compound library of highly soluble micro-fragments consists of 1082 low-molecular-weight fragments. Uses: Scientific use. Product Category: L7820. Categories: High Solubility Micro Fragment Libraries.
High Solubility Pharmacophore FragmentLibrary
The theoretical basis of FBDD is to select favorable fragment combinations or extensions to obtain new drug molecules, with a higher probability of obtaining highly active drug candidates. Compared with the screening of millions of macromolecules, thousands of fragment molecules can be combined to form millions of drug structures, which are easier to collect and manage. In addition, fragments have smaller molecular weights, relatively higher solubility, and easier structural optimization. The potential of over-the-counter medicine is higher. We analyzed the key interactions discovered by target protein hot spots to derive the fragment pharmacophore represented by the fragment-protein complex available in the PDB. Using this information, we designed a set of minimal diversified commercial fragments, covering most experiments combined with pharmacophore, used to identify the starting point of the fragment for drug discovery targets. Uses: Scientific use. Product Category: L7830. Categories: High Solubility Pharmacophore Fragment Libraries.
High Solubility Polyfunctional Group FragmentLibrary
Traditional drug research and development are mainly based on natural active products or screening new drugs from existing compound data, but this method is highly random, blind, and inefficient. Medicinal chemists subsequently developed high-throughput screening (HTS) methods for drug discovery. Many pharmaceutical companies have also established compound libraries containing millions of small molecules and discovered many drug candidates. However, in drug screening with complex targets, HTS has been repeatedly frustrated. It is difficult to screen high-potential compounds, or the screened compounds have high false positives and poor drug-like properties. In this ... are easier to collect and manage. In addition, fragments have smaller molecular weights, relatively higher solubility, and easier structural optimization. The potential of over-the-counter medicine is higher. The high solubility multifunctional fragmentlibrary is designed by analyzing the spatial stability of all commercially available fragments and selecting a chemically diverse subset. In order to enhance the diversity of the compound library, we carefully selected some additional saturated heterocyclic compounds to supplement the compound library. Uses: Scientific use. Product Category: L7810. Categories: High Solubility Polyfunctional Group Fragment Libraries.
Mini Electrophilic Heterocyclic FragmentLibrary
The theoretical basis of FBDD is to select favorable fragment combinations or extensions to obtain new drug molecules, with a higher probability of obtaining highly active drug candidates. Compared with the screening of millions of macromolecules, thousands of fragment molecules can be combined to form millions of drug structures, which are easier to collect and manage. In addition, fragments have smaller molecular weights, relatively higher solubility, and easier structural optimization. The potential of over-the-counter medicine is higher. Targeted covalent inhibitors and chemical probes have become part of drug discovery methods. Given the advantages of fragment-based drug discovery, screening electrophilic fragments has become a promising alternative to discover and verify new targets and generate viable chemical starting points, even for targets that are almost difficult to handle. In response to this situation, we designed a small library of heterocyclic electrophilic compounds. General technology for covalent fragment screening ?. Uses: Scientific use. Product Category: L7860. Categories: Mini Electrophilic Heterocyclic Fragment Libraries.
Cysteine Covalent Library
The theoretical basis of FBDD is to select favorable fragment combinations or extensions to obtain new drug molecules, with a higher probability of obtaining highly active drug candidates. Compared with the screening of millions of macromolecules, thousands of fragment molecules can be combined to form millions of drug structures, which are easier to collect and manage. In addition, fragments have smaller molecular weights, relatively higher solubility, and easier structural optimization. The potential of over-the-counter medicine is higher. In recent years, covalent chemical probes have become an important tool for drug discovery. A large number of successful applications in the evaluation of protein druggability, especially the successful application of Cys residues, bring hope for the discovery and synthesis of new covalently modified compounds. To this end, we designed a cysteine-specific covalent library. The electrophilic "warhead" of the fragments is acrylamide or chloroacetamide (25% and 75% of the library, respectively). These functional groups were chosen to construct the library because they are in the "best position" for reactivity and show selectivity in chemical proteomics screening. Uses: Scientific use. Product Category: L9411. Categories: Cysteine Covalent Libraries.
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