L950-0538 Screening compound: 3-(3-fluorophenyl)-5-[1-(2,4,6-trimethylbenzenesulfonyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
Chemical Structure Depiction of ChemDiv screening compound L950-0538
3-(3-fluorophenyl)-5-[1-(2,4,6-trimethylbenzenesulfonyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
Available from 1 mg
Formats:
- Glass Vials (4ml Glass Vials VWR #97047-678)
- 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)
Shiptime: 1 week worldwide delivery in most cases
Compound Identifiers
ChemDiv Compound ID
L950-0538
Molecular Formula
C21H22FN3O3S (C21 H22 FN3 O3 S)
Compound Name
3-(3-fluorophenyl)-5-[1-(2,4,6-trimethylbenzenesulfonyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
IUPAC name
3-(3-fluorophenyl)-5-[1-(246-trimethylbenzenesulfonyl)pyrrolidin-2-yl]-124-oxadiazole
SMILES
Cc(cc1C)cc(C)c1S(N(CCC1)C1c1nc(-c2cc(F)ccc2)no1)(=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
415.49
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
5.463
Distribution Coefficient, logD
5.463
Water Solubility, LogSw
-5.49
Polar Surface Area
64.192
Acid Dissociation Constant (pKa)
26.45
Base Dissociation Constant (pKb)
-3.41
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
33.30
L950-0538 in Drug Discovery
Included in Screening Libraries
Protein-Protein Interaction Library (218420 compounds)
SmartTM Library (51161 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Neuropeptide S Library (2850 compounds)
Included in 1.7M Stock Database
- PPI modulators
- Receptor's ligands
- Cyclic compounds
- Digestive system
- Nervous system
- GPCR
References: we are preparing a list of scientific research reports with L950-0538 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)