F431-0012 Screening compound: 2-bromo-N-[1,3-dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzamide
Chemical Structure Depiction of ChemDiv screening compound F431-0012
2-bromo-N-[1,3-dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzamide
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
F431-0012
Molecular Formula
C22H18BrN3O2S (C22 H18 BrN3 O2 S)
Compound Name
2-bromo-N-[1,3-dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzamide
IUPAC name
2-bromo-N-[13-dimethyl-2-oxo-6-(phenylsulfanyl)-23-dihydro-1H-13-benzodiazol-5-yl]benzamide
SMILES
CN(c(c(N1C)c2)cc(NC(c(cccc3)c3Br)=O)c2Sc2ccccc2)C1=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
468.37
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
5.00
Number of Nitrogen and Oxygen Atoms
5
Partition Coefficient, logP
5.009
Distribution Coefficient, logD
5.009
Water Solubility, LogSw
-4.57
Polar Surface Area
40.045
Acid Dissociation Constant (pKa)
10.46
Base Dissociation Constant (pKb)
-2.53
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
9.10
References: we are preparing a list of scientific research reports with F431-0012 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)