C639-0272 Screening compound: (5Z)-5-{[5-(benzylsulfanyl)furan-2-yl]methylidene}-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

C639-0272 Screening compound: (5Z)-5-{[5-(benzylsulfanyl)furan-2-yl]methylidene}-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
C639-0272 Screening compound: (5Z)-5-{[5-(benzylsulfanyl)furan-2-yl]methylidene}-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C639-0272
(5Z)-5-{[5-(benzylsulfanyl)furan-2-yl]methylidene}-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-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

C639-0272

Molecular Formula

C22H14F3NO2S3 (C22 H14 F3 NO2 S3)

Compound Name

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

IUPAC name

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

SMILES

O=C(/C(/SC1=S)=C/c(o2)ccc2SCc2ccccc2)N1c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C22H14F3NO2S3/c23-22(24,25)15-7-4-8-16(11-15)26-20(27)18(31-21(26)29)12-17-9-10-19(28-17)30-13-14-5-2-1-3-6-14/h1-12H,13H2

InChI Key

PSJSAHLYEJFXKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14778622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.284

Distribution Coefficient, logD

6.284

Water Solubility, LogSw

-6.18

Polar Surface Area

23.621

Acid Dissociation Constant (pKa)

28.48

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

C639-0272 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C639-0272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C639-0272?
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What is the minimum amount of C639-0272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C639-0272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C639-0272
  • 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 C639-0272 available by request