1674-0045 Screening compound: (5E)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

1674-0045 Screening compound: (5E)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
1674-0045 Screening compound: (5E)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1674-0045
(5E)-5-[(4-hydroxyphenyl)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

1674-0045

Molecular Formula

C17H10F3NO2S2 (C17 H10 F3 NO2 S2)

Compound Name

(5E)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-13-thiazolidin-4-one

SMILES

Oc1ccc(/C=C(\C(N2c3cc(C(F)(F)F)ccc3)=O)/SC2=S)cc1

InChI

InChI=1S/C17H10F3NO2S2/c18-17(19,20)11-2-1-3-12(9-11)21-15(23)14(25-16(21)24)8-10-4-6-13(22)7-5-10/h1-9,22H

InChI Key

PZGSAAGYVLUUNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01038275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.183

Distribution Coefficient, logD

4.180

Water Solubility, LogSw

-4.47

Polar Surface Area

33.448

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

1674-0045 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1674-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1674-0045?
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What is the minimum amount of 1674-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1674-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1674-0045
  • 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 1674-0045 available by request