C592-3597 Screening compound: N-{[4-(2,5-dimethylphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide

C592-3597 Screening compound: N-{[4-(2,5-dimethylphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
C592-3597 Screening compound: N-{[4-(2,5-dimethylphenyl)-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 C592-3597
N-{[4-(2,5-dimethylphenyl)-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

C592-3597

Molecular Formula

C21H20N6O2S3 (C21 H20 N6 O2 S3)

Compound Name

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

SMILES

Cc1cc(-n2c(SCC(Nc3nccs3)=O)nnc2CNC(c2cccs2)=O)c(C)cc1

InChI

InChI=1S/C21H20N6O2S3/c1-13-5-6-14(2)15(10-13)27-17(11-23-19(29)16-4-3-8-30-16)25-26-21(27)32-12-18(28)24-20-22-7-9-31-20/h3-10H,11-12H2,1-2H3,(H,23,29)(H,22,24,28)

InChI Key

KKKQHEWTHGXGCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04417270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.528

Distribution Coefficient, logD

3.527

Water Solubility, LogSw

-3.85

Polar Surface Area

84.719

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C592-3597 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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 C592-3597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-3597?
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What is the minimum amount of C592-3597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-3597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-3597
  • 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 C592-3597 available by request