A0062271 Screening compound: N-{[4-(2,5-dimethylphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide

A0062271 Screening compound: N-{[4-(2,5-dimethylphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide
A0062271 Screening compound: N-{[4-(2,5-dimethylphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0062271
N-{[4-(2,5-dimethylphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide

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

A0062271

Molecular Formula

C24H24N6O3S2 (C24 H24 N6 O3 S2)

Compound Name

N-{[4-(2,5-dimethylphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide

IUPAC name

N-{[4-(25-dimethylphenyl)-5-({[(13-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-124-triazol-3-yl]methyl}-2-phenoxyacetamide

SMILES

Cc1cc(-n2c(SCC(Nc3nccs3)=O)nnc2CNC(COc2ccccc2)=O)c(C)cc1

InChI

InChI=1S/C24H24N6O3S2/c1-16-8-9-17(2)19(12-16)30-20(13-26-21(31)14-33-18-6-4-3-5-7-18)28-29-24(30)35-15-22(32)27-23-25-10-11-34-23/h3-12H,13-15H2,1-2H3,(H,26,31)(H,25,27,32)

InChI Key

SLKIBOVXEVTSFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.63

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

3.556

Distribution Coefficient, logD

3.556

Water Solubility, LogSw

-3.88

Polar Surface Area

90.986

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

A0062271 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with A0062271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0062271?
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What is the minimum amount of A0062271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062271
  • 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 A0062271 available by request