C639-0597 Screening compound: (5Z)-5-{[5-(benzylsulfanyl)furan-2-yl]methylidene}-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

C639-0597 Screening compound: (5Z)-5-{[5-(benzylsulfanyl)furan-2-yl]methylidene}-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
C639-0597 Screening compound: (5Z)-5-{[5-(benzylsulfanyl)furan-2-yl]methylidene}-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C639-0597
(5Z)-5-{[5-(benzylsulfanyl)furan-2-yl]methylidene}-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

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

C639-0597

Molecular Formula

C22H17NO2S3 (C22 H17 NO2 S3)

Compound Name

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

IUPAC name

(5Z)-5-{[5-(benzylsulfanyl)furan-2-yl]methylidene}-3-(4-methylphenyl)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

Cc(cc1)ccc1N(C(/C(/S1)=C/c(o2)ccc2SCc2ccccc2)=O)C1=S

InChI

InChI=1S/C22H17NO2S3/c1-15-7-9-17(10-8-15)23-21(24)19(28-22(23)26)13-18-11-12-20(25-18)27-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3

InChI Key

XWKHFYSPNXXWBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14778674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.851

Distribution Coefficient, logD

5.851

Water Solubility, LogSw

-5.50

Polar Surface Area

23.621

Acid Dissociation Constant (pKa)

28.48

Base Dissociation Constant (pKb)

-7.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with C639-0597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C639-0597?
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What is the minimum amount of C639-0597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C639-0597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C639-0597
  • 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 C639-0597 available by request