3972-1974 Screening compound: 4-{[(5E)-3-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzonitrile

3972-1974 Screening compound: 4-{[(5E)-3-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzonitrile
3972-1974 Screening compound: 4-{[(5E)-3-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3972-1974
4-{[(5E)-3-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzonitrile

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

3972-1974

Molecular Formula

C17H9ClN2OS2 (C17 H9 ClN2 OS2)

Compound Name

4-{[(5E)-3-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzonitrile

IUPAC name

4-{[(5E)-3-(3-chlorophenyl)-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}benzonitrile

SMILES

N#Cc1ccc(/C=C(\C(N2c3cccc(Cl)c3)=O)/SC2=S)cc1

InChI

InChI=1S/C17H9ClN2OS2/c18-13-2-1-3-14(9-13)20-16(21)15(23-17(20)22)8-11-4-6-12(10-19)7-5-11/h1-9H

InChI Key

ZVFNOIVBUKOXPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02316274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.240

Distribution Coefficient, logD

4.240

Water Solubility, LogSw

-4.74

Polar Surface Area

32.887

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3972-1974 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3972-1974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3972-1974?
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What is the minimum amount of 3972-1974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3972-1974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3972-1974
  • 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 3972-1974 available by request