8002-8641 Screening compound: 6-bromo-2-oxo-2H-1,3-benzoxathiol-5-yl N-cyclohexylcarbamate
Chemical Structure Depiction of ChemDiv screening compound 8002-8641
6-bromo-2-oxo-2H-1,3-benzoxathiol-5-yl N-cyclohexylcarbamate
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
8002-8641
Molecular Formula
C14H14BrNO4S (C14 H14 BrNO4 S)
Compound Name
6-bromo-2-oxo-2H-1,3-benzoxathiol-5-yl N-cyclohexylcarbamate
IUPAC name
6-bromo-2-oxo-2H-13-benzoxathiol-5-yl N-cyclohexylcarbamate
SMILES
O=C(NC1CCCCC1)Oc(cc(c(O1)c2)SC1=O)c2Br
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
372.24
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
4.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
4.015
Distribution Coefficient, logD
4.015
Water Solubility, LogSw
-4.14
Polar Surface Area
54.513
Acid Dissociation Constant (pKa)
13.89
Base Dissociation Constant (pKb)
-0.16
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
42.90
8002-8641 in Drug Discovery
Included in Screening Libraries
Human Kinases Annotated Library (2415 compounds)
Included in 1.7M Stock Database
References: we are preparing a list of scientific research reports with 8002-8641 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)