F874-0092 Screening compound: 5-chloro-2-{[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
Chemical Structure Depiction of ChemDiv screening compound F874-0092
5-chloro-2-{[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
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
F874-0092
Molecular Formula
C18H17ClFN3O3S (C18 H17 ClFN3 O3 S)
Compound Name
5-chloro-2-{[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
IUPAC name
5-chloro-2-{[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]methyl}-13-benzoxazole
SMILES
O=S(c(cc1)ccc1F)(N1CCN(Cc2nc(cc(cc3)Cl)c3o2)CC1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
409.87
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
3.347
Distribution Coefficient, logD
3.347
Water Solubility, LogSw
-3.64
Polar Surface Area
52.237
Acid Dissociation Constant (pKa)
28.13
Base Dissociation Constant (pKb)
3.98
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
27.80
F874-0092 in Drug Discovery
Included in Screening Libraries
Anti-Aging Library (44940 compounds)
SmartTM Library (51161 compounds)
Included in 1.7M Stock Database
- Cancer
- Musculoskeletal
- Metabolic
- Immune system
- Epigenetic
References: we are preparing a list of scientific research reports with F874-0092 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)