4489-3328 Screening compound: (5E)-5-[(3-chloro-6-hydroxy-2,4-dimethylphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

4489-3328 Screening compound: (5E)-5-[(3-chloro-6-hydroxy-2,4-dimethylphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
4489-3328 Screening compound: (5E)-5-[(3-chloro-6-hydroxy-2,4-dimethylphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4489-3328
(5E)-5-[(3-chloro-6-hydroxy-2,4-dimethylphenyl)methylidene]-3-methyl-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

4489-3328

Molecular Formula

C13H12ClNO2S2 (C13 H12 ClNO2 S2)

Compound Name

(5E)-5-[(3-chloro-6-hydroxy-2,4-dimethylphenyl)methylidene]-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-[(3-chloro-6-hydroxy-24-dimethylphenyl)methylidene]-3-methyl-2-sulfanylidene-13-thiazolidin-4-one

SMILES

Cc1cc(O)c(/C=C(\C(N2C)=O)/SC2=S)c(C)c1Cl

InChI

InChI=1S/C13H12ClNO2S2/c1-6-4-9(16)8(7(2)11(6)14)5-10-12(17)15(3)13(18)19-10/h4-5,16H,1-3H3

InChI Key

GSFJGVKXBILFNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03145393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.438

Distribution Coefficient, logD

3.421

Water Solubility, LogSw

-3.69

Polar Surface Area

33.028

Acid Dissociation Constant (pKa)

8.80

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

4489-3328 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 4489-3328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4489-3328?
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What is the minimum amount of 4489-3328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4489-3328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4489-3328
  • 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 4489-3328 available by request