C639-0795 Screening compound: 4-[(5Z)-5-[(5-{[(4-chlorophenyl)methyl]sulfanyl}furan-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid

C639-0795 Screening compound: 4-[(5Z)-5-[(5-{[(4-chlorophenyl)methyl]sulfanyl}furan-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
C639-0795 Screening compound: 4-[(5Z)-5-[(5-{[(4-chlorophenyl)methyl]sulfanyl}furan-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C639-0795
4-[(5Z)-5-[(5-{[(4-chlorophenyl)methyl]sulfanyl}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

C639-0795

Molecular Formula

C22H14ClNO4S3 (C22 H14 ClNO4 S3)

Compound Name

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

IUPAC name

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

SMILES

OC(c(cc1)ccc1N(C(/C(/S1)=C/c(o2)ccc2SCc(cc2)ccc2Cl)=O)C1=S)=O

InChI

InChI=1S/C22H14ClNO4S3/c23-15-5-1-13(2-6-15)12-30-19-10-9-17(28-19)11-18-20(25)24(22(29)31-18)16-7-3-14(4-8-16)21(26)27/h1-11H,12H2,(H,26,27)

InChI Key

YICURBUTJUKBSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14778704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.01

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

5.870

Distribution Coefficient, logD

3.475

Water Solubility, LogSw

-5.96

Polar Surface Area

52.029

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with C639-0795 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C639-0795?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C639-0795
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C639-0795
  • 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 C639-0795 available by request