F431-0036 Screening compound: 3-chloro-N-[1,3-dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzamide

F431-0036 Screening compound: 3-chloro-N-[1,3-dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzamide
F431-0036 Screening compound: 3-chloro-N-[1,3-dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F431-0036
3-chloro-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

F431-0036

Molecular Formula

C22H18ClN3O2S (C22 H18 ClN3 O2 S)

Compound Name

3-chloro-N-[1,3-dimethyl-2-oxo-6-(phenylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzamide

IUPAC name

3-chloro-N-[13-dimethyl-2-oxo-6-(phenylsulfanyl)-23-dihydro-1H-13-benzodiazol-5-yl]benzamide

SMILES

CN(c(c(N1C)c2)cc(NC(c3cccc(Cl)c3)=O)c2Sc2ccccc2)C1=O

InChI

InChI=1S/C22H18ClN3O2S/c1-25-18-12-17(24-21(27)14-7-6-8-15(23)11-14)20(13-19(18)26(2)22(25)28)29-16-9-4-3-5-10-16/h3-13H,1-2H3,(H,24,27)

InChI Key

WNZXAEOGUXHORL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27128217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.92

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

5.363

Distribution Coefficient, logD

5.362

Water Solubility, LogSw

-5.82

Polar Surface Area

40.045

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with F431-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F431-0036?
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What is the minimum amount of F431-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F431-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F431-0036
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of F431-0036 available by request