0168-0353 Screening compound: (5E)-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

0168-0353 Screening compound: (5E)-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
0168-0353 Screening compound: (5E)-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0168-0353
(5E)-5-[(2E)-3-phenylprop-2-en-1-ylidene]-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

0168-0353

Molecular Formula

C12H9NOS2 (C12 H9 NOS2)

Compound Name

(5E)-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-[(2E)-3-phenylprop-2-en-1-ylidene]-2-sulfanylidene-13-thiazolidin-4-one

SMILES

O=C(/C(/S1)=C\C=C\c2ccccc2)NC1=S

InChI

InChI=1S/C12H9NOS2/c14-11-10(16-12(15)13-11)8-4-7-9-5-2-1-3-6-9/h1-8H,(H,13,14,15)

InChI Key

FPSVMWLWFSURME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00760871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.340

Distribution Coefficient, logD

-0.936

Water Solubility, LogSw

-2.93

Polar Surface Area

24.900

Acid Dissociation Constant (pKa)

4.12

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0168-0353 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0168-0353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0168-0353?
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What is the minimum amount of 0168-0353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0168-0353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0168-0353
  • 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 0168-0353 available by request