A0062283 Screening compound: N-{[4-(2,5-dimethoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide

A0062283 Screening compound: N-{[4-(2,5-dimethoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
A0062283 Screening compound: N-{[4-(2,5-dimethoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0062283
N-{[4-(2,5-dimethoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide

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

A0062283

Molecular Formula

C21H20N6O4S3 (C21 H20 N6 O4 S3)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)cc(-n2c(SCC(Nc3nccs3)=O)nnc2CNC(c2cccs2)=O)c1OC

InChI

InChI=1S/C21H20N6O4S3/c1-30-13-5-6-15(31-2)14(10-13)27-17(11-23-19(29)16-4-3-8-32-16)25-26-21(27)34-12-18(28)24-20-22-7-9-33-20/h3-10H,11-12H2,1-2H3,(H,23,29)(H,22,24,28)

InChI Key

ICAJYNFATZRWIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.63

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.685

Distribution Coefficient, logD

2.684

Water Solubility, LogSw

-3.25

Polar Surface Area

99.893

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

A0062283 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with A0062283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0062283?
Check Price and Availability of A0062283, 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 A0062283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0062283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0062283
  • 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 A0062283 available by request