0928-0180 Screening compound: (5E)-5-[(3-chlorophenyl)methylidene]-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

0928-0180 Screening compound: (5E)-5-[(3-chlorophenyl)methylidene]-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
0928-0180 Screening compound: (5E)-5-[(3-chlorophenyl)methylidene]-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0928-0180
(5E)-5-[(3-chlorophenyl)methylidene]-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

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

0928-0180

Molecular Formula

C13H10ClNOS2 (C13 H10 ClNOS2)

Compound Name

(5E)-5-[(3-chlorophenyl)methylidene]-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-[(3-chlorophenyl)methylidene]-3-(prop-2-en-1-yl)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

C=CCN(C(/C(/S1)=C\c2cccc(Cl)c2)=O)C1=S

InChI

InChI=1S/C13H10ClNOS2/c1-2-6-15-12(16)11(18-13(15)17)8-9-4-3-5-10(14)7-9/h2-5,7-8H,1,6H2

InChI Key

HQAPTMXZAAHKIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00642847

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.832

Distribution Coefficient, logD

3.832

Water Solubility, LogSw

-4.31

Polar Surface Area

16.692

Acid Dissociation Constant (pKa)

33.62

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

0928-0180 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0928-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0928-0180?
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What is the minimum amount of 0928-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0928-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0928-0180
  • 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 0928-0180 available by request