C592-0669 Screening compound: 2-[(5-{[2-(4-methoxyphenyl)acetamido]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C592-0669 Screening compound: 2-[(5-{[2-(4-methoxyphenyl)acetamido]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
C592-0669 Screening compound: 2-[(5-{[2-(4-methoxyphenyl)acetamido]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-0669
2-[(5-{[2-(4-methoxyphenyl)acetamido]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-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

C592-0669

Molecular Formula

C23H22N6O3S2 (C23 H22 N6 O3 S2)

Compound Name

2-[(5-{[2-(4-methoxyphenyl)acetamido]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

IUPAC name

2-[(5-{[2-(4-methoxyphenyl)acetamido]methyl}-4-phenyl-4H-124-triazol-3-yl)sulfanyl]-N-(13-thiazol-2-yl)acetamide

SMILES

COc1ccc(CC(NCc(n2-c3ccccc3)nnc2SCC(Nc2nccs2)=O)=O)cc1

InChI

InChI=1S/C23H22N6O3S2/c1-32-18-9-7-16(8-10-18)13-20(30)25-14-19-27-28-23(29(19)17-5-3-2-4-6-17)34-15-21(31)26-22-24-11-12-33-22/h2-12H,13-15H2,1H3,(H,25,30)(H,24,26,31)

InChI Key

WBKRUOIEJBMGGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04449065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.506

Distribution Coefficient, logD

2.505

Water Solubility, LogSw

-2.75

Polar Surface Area

91.332

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

C592-0669 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C592-0669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-0669?
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What is the minimum amount of C592-0669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-0669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-0669
  • 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 C592-0669 available by request