3128-9278 Screening compound: 4-(5-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid

3128-9278 Screening compound: 4-(5-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid
3128-9278 Screening compound: 4-(5-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3128-9278
4-(5-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic 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

3128-9278

Molecular Formula

C15H9NO4S2 (C15 H9 NO4 S2)

Compound Name

4-(5-{[(5Z)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid

IUPAC name

4-(5-{[(5Z)-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}furan-2-yl)benzoic acid

SMILES

OC(c(cc1)ccc1-c1ccc(/C=C(/C(N2)=O)\SC2=S)o1)=O

InChI

InChI=1S/C15H9NO4S2/c17-13-12(22-15(21)16-13)7-10-5-6-11(20-10)8-1-3-9(4-2-8)14(18)19/h1-7H,(H,18,19)(H,16,17,21)

InChI Key

XXOSNTFGLAKMFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00636648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.828

Distribution Coefficient, logD

-0.899

Water Solubility, LogSw

-3.45

Polar Surface Area

60.878

Acid Dissociation Constant (pKa)

3.67

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3128-9278 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Integrin Receptors Targeted library (1715 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3128-9278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3128-9278?
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What is the minimum amount of 3128-9278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3128-9278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3128-9278
  • 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 3128-9278 available by request