F431-0589 Screening compound: N-{6-[(2-chlorophenyl)sulfanyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3-methoxybenzamide

F431-0589 Screening compound: N-{6-[(2-chlorophenyl)sulfanyl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3-methoxybenzamide
F431-0589 Screening compound: N-{6-[(2-chlorophenyl)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 F431-0589
N-{6-[(2-chlorophenyl)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

F431-0589

Molecular Formula

C23H20ClN3O3S (C23 H20 ClN3 O3 S)

Compound Name

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

IUPAC name

N-{6-[(2-chlorophenyl)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)c2Sc(cccc2)c2Cl)C1=O

InChI

InChI=1S/C23H20ClN3O3S/c1-26-18-12-17(25-22(28)14-7-6-8-15(11-14)30-3)21(13-19(18)27(2)23(26)29)31-20-10-5-4-9-16(20)24/h4-13H,1-3H3,(H,25,28)

InChI Key

ZMVKFSGRZDBAJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27128380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.95

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

5.253

Distribution Coefficient, logD

5.253

Water Solubility, LogSw

-5.89

Polar Surface Area

47.589

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with F431-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F431-0589?
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What is the minimum amount of F431-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F431-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F431-0589
  • 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 F431-0589 available by request