6232-2742 Screening compound: N-[(E)-[(4-chlorophenyl)sulfanyl](prop-2-en-1-ylsulfanyl)methylidene]-4-methylbenzene-1-sulfonamide

6232-2742 Screening compound: N-[(E)-[(4-chlorophenyl)sulfanyl](prop-2-en-1-ylsulfanyl)methylidene]-4-methylbenzene-1-sulfonamide
6232-2742 Screening compound: N-[(E)-[(4-chlorophenyl)sulfanyl](prop-2-en-1-ylsulfanyl)methylidene]-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6232-2742
N-[(E)-[(4-chlorophenyl)sulfanyl](prop-2-en-1-ylsulfanyl)methylidene]-4-methylbenzene-1-sulfonamide

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

6232-2742

Molecular Formula

C17H16ClNO2S3 (C17 H16 ClNO2 S3)

Compound Name

N-[(E)-[(4-chlorophenyl)sulfanyl](prop-2-en-1-ylsulfanyl)methylidene]-4-methylbenzene-1-sulfonamide

IUPAC name

N-[(E)-[(4-chlorophenyl)sulfanyl](prop-2-en-1-ylsulfanyl)methylidene]-4-methylbenzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(/N=C(\SCC=C)/Sc(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C17H16ClNO2S3/c1-3-12-22-17(23-15-8-6-14(18)7-9-15)19-24(20,21)16-10-4-13(2)5-11-16/h3-11H,1,12H2,2H3

InChI Key

QIGOWAKSEVWMIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02029619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.97

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.055

Distribution Coefficient, logD

6.055

Water Solubility, LogSw

-6.26

Polar Surface Area

40.393

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-4.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

6232-2742 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6232-2742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6232-2742?
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What is the minimum amount of 6232-2742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6232-2742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6232-2742
  • 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 6232-2742 available by request