2534-6514 Screening compound: N-{5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl}-2-[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide

2534-6514 Screening compound: N-{5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl}-2-[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
2534-6514 Screening compound: N-{5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl}-2-[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2534-6514
N-{5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl}-2-[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide

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

2534-6514

Molecular Formula

C24H21N3O2S3 (C24 H21 N3 O2 S3)

Compound Name

N-{5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl}-2-[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide

IUPAC name

N-{5-[(4-methylphenyl)methyl]-13-thiazol-2-yl}-2-[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]acetamide

SMILES

Cc1ccc(Cc2cnc(NC(CN(C(/C(/S3)=C\c4ccc(C)cc4)=O)C3=S)=O)s2)cc1

InChI

InChI=1S/C24H21N3O2S3/c1-15-3-7-17(8-4-15)11-19-13-25-23(31-19)26-21(28)14-27-22(29)20(32-24(27)30)12-18-9-5-16(2)6-10-18/h3-10,12-13H,11,14H2,1-2H3,(H,25,26,28)

InChI Key

LCCHWHVPTKYCNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01911625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.008

Distribution Coefficient, logD

6.007

Water Solubility, LogSw

-5.31

Polar Surface Area

49.888

Acid Dissociation Constant (pKa)

10.09

Base Dissociation Constant (pKb)

-0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

2534-6514 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

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 2534-6514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2534-6514?
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What is the minimum amount of 2534-6514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2534-6514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2534-6514
  • 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 2534-6514 available by request