A0062311 Screening compound: N-{[4-(2,5-dimethoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5-dimethoxybenzamide

A0062311 Screening compound: N-{[4-(2,5-dimethoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3,5-dimethoxybenzamide
A0062311 Screening compound: N-{[4-(2,5-dimethoxyphenyl)-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 A0062311
N-{[4-(2,5-dimethoxyphenyl)-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

A0062311

Molecular Formula

C25H26N6O6S2 (C25 H26 N6 O6 S2)

Compound Name

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

IUPAC name

N-{[4-(25-dimethoxyphenyl)-5-({[(13-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-124-triazol-3-yl]methyl}-35-dimethoxybenzamide

SMILES

COc(cc1)cc(-n2c(SCC(Nc3nccs3)=O)nnc2CNC(c2cc(OC)cc(OC)c2)=O)c1OC

InChI

InChI=1S/C25H26N6O6S2/c1-34-16-5-6-20(37-4)19(12-16)31-21(13-27-23(33)15-9-17(35-2)11-18(10-15)36-3)29-30-25(31)39-14-22(32)28-24-26-7-8-38-24/h5-12H,13-14H2,1-4H3,(H,27,33)(H,26,28,32)

InChI Key

SGENUBLWWSNYDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

570.65

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.115

Distribution Coefficient, logD

3.115

Water Solubility, LogSw

-3.57

Polar Surface Area

113.962

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

A0062311 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 A0062311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0062311?
Check Price and Availability of A0062311, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of A0062311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062311
  • 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 A0062311 available by request