8002-9933 Screening compound: 6-chloro-3-(4-nitrobenzenesulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one
Chemical Structure Depiction of ChemDiv screening compound 8002-9933
6-chloro-3-(4-nitrobenzenesulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one
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
8002-9933
Molecular Formula
C13H7ClN2O6S (C13 H7 ClN2 O6 S)
Compound Name
6-chloro-3-(4-nitrobenzenesulfonyl)-2,3-dihydro-1,3-benzoxazol-2-one
IUPAC name
6-chloro-3-(4-nitrobenzenesulfonyl)-23-dihydro-13-benzoxazol-2-one
SMILES
[O-][N+](c(cc1)ccc1S(N(c(ccc(Cl)c1)c1O1)C1=O)(=O)=O)=O
InChI
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
354.73
Hydrogen Bond Acceptors Count
11.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
3.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
3.194
Distribution Coefficient, logD
3.194
Water Solubility, LogSw
-3.77
Polar Surface Area
85.649
Acid Dissociation Constant (pKa)
14.00
Base Dissociation Constant (pKb)
-16.37
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
0.00
8002-9933 in Drug Discovery
Included in Screening Libraries
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 8002-9933 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)