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Fragment Library High quality compounds for fragment-based drug discovery

ChemBridge s Fragment Library now offers more than 7,000 compounds. These compounds can be individually selected based on your criteria or pre-selected diversity sub-sets can be purchased. This exemplary collection of small molecules is designed for fragment-based screening by high throughput X-ray crystallography, NMR, SPR and high concentration bioassay methodologies. The Fragment Library was chosen based upon the commonly accepted Astex Rule of Three1 plus additional property filters and using proprietary ChemBridge substructure filters.

View Data Sheet Fragment Library Selection

Compounds are selected according to Astex Rule of Three considerations (MW ≤ 300, H-bond donors ≤ 3, H-bond acceptors ≤ 3, cLogP ≤ 3), rotatable bond count, calculated tPSA, and a cLogSw filter that has been applied for improved aqueous solubility. The commonly publicized cLogSw (predicted aqueous solubility) lower limit can be as low as -3.50, however, the -2.50 limit (approx. 3mM) applied by ChemBridge ensures a higher predicted aqueous solubility.

Fragment Library Specs and Filters
Request MDL structure-data files (SDfiles) or ISIS Database (db) files for the Fragment Library. Select individual compounds or purchase pre-selected, diversity sub-sets of different sizes
(500, 1,000 or more compounds). Compounds are available in milligram or micromole amounts in powder form or dissolved in DMSO and plated to your requirements. All compounds have a minimum purity of 90% by H-NMR and analytical data is provided with any order. Follow-up stock is available for resupply, subject to availability.
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