C639-0292 Screening compound: 3-[(5Z)-5-{[5-(benzylsulfanyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid

C639-0292 Screening compound: 3-[(5Z)-5-{[5-(benzylsulfanyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
C639-0292 Screening compound: 3-[(5Z)-5-{[5-(benzylsulfanyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C639-0292
3-[(5Z)-5-{[5-(benzylsulfanyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-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

C639-0292

Molecular Formula

C22H15NO4S3 (C22 H15 NO4 S3)

Compound Name

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

IUPAC name

3-[(5Z)-5-{[5-(benzylsulfanyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]benzoic acid

SMILES

OC(c1cccc(N(C(/C(/S2)=C/c(o3)ccc3SCc3ccccc3)=O)C2=S)c1)=O

InChI

InChI=1S/C22H15NO4S3/c24-20-18(30-22(28)23(20)16-8-4-7-15(11-16)21(25)26)12-17-9-10-19(27-17)29-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,25,26)

InChI Key

NCWJGHXUVFXRDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14778628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.365

Distribution Coefficient, logD

2.675

Water Solubility, LogSw

-5.52

Polar Surface Area

52.029

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

-1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

C639-0292 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 C639-0292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C639-0292?
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What is the minimum amount of C639-0292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C639-0292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C639-0292
  • 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 C639-0292 available by request