F431-0547 Screening compound: N-{6-[(4-chlorophenyl)sulfanyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzamide

F431-0547 Screening compound: N-{6-[(4-chlorophenyl)sulfanyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzamide
F431-0547 Screening compound: N-{6-[(4-chlorophenyl)sulfanyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F431-0547
N-{6-[(4-chlorophenyl)sulfanyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzamide

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

F431-0547

Molecular Formula

C24H22ClN3O4S (C24 H22 ClN3 O4 S)

Compound Name

N-{6-[(4-chlorophenyl)sulfanyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzamide

IUPAC name

N-{6-[(4-chlorophenyl)sulfanyl]-13-dimethyl-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl}-34-dimethoxybenzamide

SMILES

CN(c(c(N1C)c2)cc(NC(c(cc3)cc(OC)c3OC)=O)c2Sc(cc2)ccc2Cl)C1=O

InChI

InChI=1S/C24H22ClN3O4S/c1-27-18-12-17(26-23(29)14-5-10-20(31-3)21(11-14)32-4)22(13-19(18)28(2)24(27)30)33-16-8-6-15(25)7-9-16/h5-13H,1-4H3,(H,26,29)

InChI Key

WOGPPWPNFDCOOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27128360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.98

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

5.104

Distribution Coefficient, logD

5.104

Water Solubility, LogSw

-5.57

Polar Surface Area

55.306

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

F431-0547 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F431-0547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F431-0547?
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What is the minimum amount of F431-0547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F431-0547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F431-0547
  • 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 F431-0547 available by request