3331-2369 Screening compound: 4-{[(5Z)-3-(4-methylbenzenesulfonamido)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid

3331-2369 Screening compound: 4-{[(5Z)-3-(4-methylbenzenesulfonamido)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
3331-2369 Screening compound: 4-{[(5Z)-3-(4-methylbenzenesulfonamido)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3331-2369
4-{[(5Z)-3-(4-methylbenzenesulfonamido)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}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

3331-2369

Molecular Formula

C18H14N2O5S3 (C18 H14 N2 O5 S3)

Compound Name

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

IUPAC name

4-{[(5Z)-3-(4-methylbenzenesulfonamido)-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}benzoic acid

SMILES

Cc(cc1)ccc1S(NN(C(/C(/S1)=C/c(cc2)ccc2C(O)=O)=O)C1=S)(=O)=O

InChI

InChI=1S/C18H14N2O5S3/c1-11-2-8-14(9-3-11)28(24,25)19-20-16(21)15(27-18(20)26)10-12-4-6-13(7-5-12)17(22)23/h2-10,19H,1H3,(H,22,23)

InChI Key

XRDAJMXNFRPPNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00707638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.52

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.408

Distribution Coefficient, logD

-0.199

Water Solubility, LogSw

-3.69

Polar Surface Area

86.939

Acid Dissociation Constant (pKa)

3.79

Base Dissociation Constant (pKb)

-5.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

3331-2369 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3331-2369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3331-2369?
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What is the minimum amount of 3331-2369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3331-2369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3331-2369
  • 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 3331-2369 available by request