3972-1977 Screening compound: 4-{[(5E)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl}benzonitrile

3972-1977 Screening compound: 4-{[(5E)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl}benzonitrile
3972-1977 Screening compound: 4-{[(5E)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 3972-1977
4-{[(5E)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl}benzonitrile

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

3972-1977

Molecular Formula

C18H9F3N2OS2 (C18 H9 F3 N2 OS2)

Compound Name

4-{[(5E)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene]methyl}benzonitrile

IUPAC name

4-{[(5E)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-13-thiazolidin-5-ylidene]methyl}benzonitrile

SMILES

N#Cc1ccc(/C=C(\C(N2c3cc(C(F)(F)F)ccc3)=O)/SC2=S)cc1

InChI

InChI=1S/C18H9F3N2OS2/c19-18(20,21)13-2-1-3-14(9-13)23-16(24)15(26-17(23)25)8-11-4-6-12(10-22)7-5-11/h1-9H

InChI Key

SQFOKRCELGOREJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02316275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.457

Distribution Coefficient, logD

4.457

Water Solubility, LogSw

-4.64

Polar Surface Area

32.887

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 3972-1977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3972-1977?
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What is the minimum amount of 3972-1977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3972-1977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3972-1977
  • 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 3972-1977 available by request