A0062313 Screening compound: N-{[4-(4-ethoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5-dimethoxybenzamide

A0062313 Screening compound: N-{[4-(4-ethoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5-dimethoxybenzamide
A0062313 Screening compound: N-{[4-(4-ethoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0062313
N-{[4-(4-ethoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5-dimethoxybenzamide

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

A0062313

Molecular Formula

C25H26N6O5S2 (C25 H26 N6 O5 S2)

Compound Name

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

IUPAC name

N-{[4-(4-ethoxyphenyl)-5-({[(13-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-124-triazol-3-yl]methyl}-35-dimethoxybenzamide

SMILES

CCOc(cc1)ccc1-n1c(SCC(Nc2nccs2)=O)nnc1CNC(c1cc(OC)cc(OC)c1)=O

InChI

InChI=1S/C25H26N6O5S2/c1-4-36-18-7-5-17(6-8-18)31-21(14-27-23(33)16-11-19(34-2)13-20(12-16)35-3)29-30-25(31)38-15-22(32)28-24-26-9-10-37-24/h5-13H,4,14-15H2,1-3H3,(H,27,33)(H,26,28,32)

InChI Key

HBPAABRNEUHFFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.65

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.394

Distribution Coefficient, logD

3.394

Water Solubility, LogSw

-3.79

Polar Surface Area

106.213

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

A0062313 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 A0062313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0062313?
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What is the minimum amount of A0062313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062313
  • 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 A0062313 available by request