Presence of Fluorine atom has been noticed to improve overall ADMET properties, which includes improving metabolic stability and increasing of bioavailability through increasing lipophilicity, decreasing basic and increasing acidic character of the compound. Fluorinated compounds have different uses: from modulators of the blood pressure and anaesthetics to labeling for the PET screens.
But in the Fragment-based drug developing projects, the major use of fluorinated compounds is 19F NMR-assisted screening. Fluorine atom shows strong and distinct signal in the NMR spectra.
This, and also its sensitivity to local environment changes, allowed usage of the “fragment cocktails” in the NMR studies.
Sensitivity of this method allowed screening numerous compounds at the same time without them interfering with each other. Beyond this, with 19F NMR spectroscopy, structure-activity relationships can be investigated in hit2lead optimization.
Chemspace offers a Fluorine fragments library of high-quality small molecules with single type fluorine-containing group in each.
For any questions contact us at sales@chem-space.com
| PhysChem Profile | |||
|---|---|---|---|
| Min | Max | Median | |
| 11 | Heavy Atoms count | 22 | 19 |
| 154 | MW | 300 | 271 |
| -1.4 | SlogP | 3 | 2 |
| 1 | HBA count | 3 | 3 |
| 0 | HBD count | 3 | 1 |
| 0 | RB count | 3 | 3 |
| 0 | fsp3 | 1 | 0.5 |
| 3 | TPSA | 96 | 47 |
| 0 | Rings count | 4 | 2 |
