F431-0121 Screening compound: N-(6-{[(furan-2-yl)methyl]sulfanyl}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)benzamide

F431-0121 Screening compound: N-(6-{[(furan-2-yl)methyl]sulfanyl}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)benzamide
F431-0121 Screening compound: N-(6-{[(furan-2-yl)methyl]sulfanyl}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F431-0121
N-(6-{[(furan-2-yl)methyl]sulfanyl}-1,3-dimethyl-2-oxo-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

F431-0121

Molecular Formula

C21H19N3O3S (C21 H19 N3 O3 S)

Compound Name

N-(6-{[(furan-2-yl)methyl]sulfanyl}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)benzamide

IUPAC name

N-(6-{[(furan-2-yl)methyl]sulfanyl}-13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl)benzamide

SMILES

CN(c(c(N1C)c2)cc(NC(c3ccccc3)=O)c2SCc2ccco2)C1=O

InChI

InChI=1S/C21H19N3O3S/c1-23-17-11-16(22-20(25)14-7-4-3-5-8-14)19(12-18(17)24(2)21(23)26)28-13-15-9-6-10-27-15/h3-12H,13H2,1-2H3,(H,22,25)

InChI Key

AAULBAHCMLIFMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27128258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.054

Distribution Coefficient, logD

4.053

Water Solubility, LogSw

-4.07

Polar Surface Area

47.794

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with F431-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F431-0121?
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What is the minimum amount of F431-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F431-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F431-0121
  • 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 F431-0121 available by request