The Solubility Fragment Library from OTAVA Ltd.

VAUGHAN, ON - Nov 20, 2014 - The aqueous solubility of fragments is often a limiting factor for biophysical techniques used in fragment-based drug design (FBDD) such as nuclear magnetic resonance (NMR), surface plasmon resonance (SPR), isothermal titration calorimetry (ITC), X-ray diffraction (XRD), high concentration analysis (HCA) etc. Moreover, full dissolution in the aqueous buffer is a prerequisite for successful in vitro investigations because poor solubility can lead to aggregation, promiscuous inhibition and other false positives. Therefore, selection of high quality, soluble fragments is a key to getting good hits.

         OTAVA Ltd. offers the Solubility Fragment Library containing about 1,000 low-molecular “Rule-of-Three” compliant fragments with assured solubility in both DMSO (200 mM) and PBS buffer (1 mM). The reactive, pan-assay interference (PAINS) compounds were removed from the library. During the library design diversity filtering was used in order to provide chemical structure variety for your fragment screening project. Diversity of the library based on fingerprint distances is 0.89, number of clusters - 302 and number of singletons - 180.

The Solubility Fragment Library from Otava is an excellent source of high quality fragments for your FBDD project.

More information about this library you can find on Otava’s web-site www.otavachemicals.com .