富含 Fsp³ 的筛选化合物库

In a recent study, it has been shown that the mean Fsp3 (saturation degree Fsp3 = number of sp3 hybridized carbons / total carbon count) increases from 0.36 for 2.2 million molecules at the development stage to 0.47 for 1,179 approved drugs. Combined with low molecular weight and ClogP values, a higher Fsp3 count leads to higher bioavailability and specificity of compounds, thus making them attractive for the drug discovery process.
Library Design
In order to create this Library of drug-like sp3-enriched molecules, we have selected molecules from the Life Chemicals HTS Compound Collection with applied Fsp3 cut-off at over 0.45 and the following physicochemical parameters, derived as a result of combined analysis of publications on this subject:

• 可选用DMSO耐受的96/384孔板或2D 条形码编码管；
• 干粉蓝冰运输，DMSO溶液干冰运输；
• 排布：96孔板：1st & 12th 空白对照，384孔板：1st & 2nd & 23th & 24th空白对照。