F431-0196 Screening compound: 3-(2-chlorophenyl)-N-[1,3-dimethyl-2-oxo-6-(propan-2-ylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide

F431-0196 Screening compound: 3-(2-chlorophenyl)-N-[1,3-dimethyl-2-oxo-6-(propan-2-ylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide
F431-0196 Screening compound: 3-(2-chlorophenyl)-N-[1,3-dimethyl-2-oxo-6-(propan-2-ylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F431-0196
3-(2-chlorophenyl)-N-[1,3-dimethyl-2-oxo-6-(propan-2-ylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide

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

F431-0196

Molecular Formula

C23H23ClN4O3S (C23 H23 ClN4 O3 S)

Compound Name

3-(2-chlorophenyl)-N-[1,3-dimethyl-2-oxo-6-(propan-2-ylsulfanyl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide

IUPAC name

3-(2-chlorophenyl)-N-[13-dimethyl-2-oxo-6-(propan-2-ylsulfanyl)-23-dihydro-1H-13-benzodiazol-5-yl]-5-methyl-12-oxazole-4-carboxamide

SMILES

CC(C)Sc(cc(c(N1C)c2)N(C)C1=O)c2NC(c1c(C)onc1-c(cccc1)c1Cl)=O

InChI

InChI=1S/C23H23ClN4O3S/c1-12(2)32-19-11-18-17(27(4)23(30)28(18)5)10-16(19)25-22(29)20-13(3)31-26-21(20)14-8-6-7-9-15(14)24/h6-12H,1-5H3,(H,25,29)

InChI Key

VRHBJABQZQIZNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27128267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.938

Distribution Coefficient, logD

4.936

Water Solubility, LogSw

-5.07

Polar Surface Area

62.277

Acid Dissociation Constant (pKa)

9.74

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

F431-0196 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F431-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F431-0196?
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What is the minimum amount of F431-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F431-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F431-0196
  • 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 F431-0196 available by request