2332-1438 Screening compound: 3-[(5E)-4-oxo-5-{[5-(4-sulfamoylphenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

2332-1438 Screening compound: 3-[(5E)-4-oxo-5-{[5-(4-sulfamoylphenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
2332-1438 Screening compound: 3-[(5E)-4-oxo-5-{[5-(4-sulfamoylphenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2332-1438
3-[(5E)-4-oxo-5-{[5-(4-sulfamoylphenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

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

2332-1438

Molecular Formula

C17H14N2O6S3 (C17 H14 N2 O6 S3)

Compound Name

3-[(5E)-4-oxo-5-{[5-(4-sulfamoylphenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid

IUPAC name

3-[(5E)-4-oxo-5-{[5-(4-sulfamoylphenyl)furan-2-yl]methylidene}-2-sulfanylidene-13-thiazolidin-3-yl]propanoic acid

SMILES

NS(c(cc1)ccc1-c1ccc(/C=C(\C(N2CCC(O)=O)=O)/SC2=S)o1)(=O)=O

InChI

InChI=1S/C17H14N2O6S3/c18-28(23,24)12-4-1-10(2-5-12)13-6-3-11(25-13)9-14-16(22)19(17(26)27-14)8-7-15(20)21/h1-6,9H,7-8H2,(H,20,21)(H2,18,23,24)

InChI Key

GTVFZNHKGILTIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00749743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.51

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.333

Distribution Coefficient, logD

-1.199

Water Solubility, LogSw

-2.06

Polar Surface Area

103.249

Acid Dissociation Constant (pKa)

4.87

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

2332-1438 in Drug Discovery

Included in Screening Libraries

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

Integrin Receptors Targeted library (1715 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with 2332-1438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2332-1438?
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What is the minimum amount of 2332-1438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2332-1438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2332-1438
  • 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 2332-1438 available by request