F431-0151 Screening compound: N-(6-{[(furan-2-yl)methyl]sulfanyl}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-3-methoxybenzamide

F431-0151 Screening compound: N-(6-{[(furan-2-yl)methyl]sulfanyl}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-3-methoxybenzamide
F431-0151 Screening compound: N-(6-{[(furan-2-yl)methyl]sulfanyl}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F431-0151
N-(6-{[(furan-2-yl)methyl]sulfanyl}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-3-methoxybenzamide

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

F431-0151

Molecular Formula

C22H21N3O4S (C22 H21 N3 O4 S)

Compound Name

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

IUPAC name

N-(6-{[(furan-2-yl)methyl]sulfanyl}-13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl)-3-methoxybenzamide

SMILES

CN(c(c(N1C)c2)cc(NC(c3cc(OC)ccc3)=O)c2SCc2ccco2)C1=O

InChI

InChI=1S/C22H21N3O4S/c1-24-18-11-17(23-21(26)14-6-4-7-15(10-14)28-3)20(12-19(18)25(2)22(24)27)30-13-16-8-5-9-29-16/h4-12H,13H2,1-3H3,(H,23,26)

InChI Key

OSCSBWSPESCIMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27128259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.221

Distribution Coefficient, logD

4.221

Water Solubility, LogSw

-4.33

Polar Surface Area

55.337

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

F431-0151 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F431-0151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F431-0151?
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What is the minimum amount of F431-0151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F431-0151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F431-0151
  • 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 F431-0151 available by request