C592-3477 Screening compound: N-{[4-(2-methoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide

C592-3477 Screening compound: N-{[4-(2-methoxyphenyl)-5-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}thiophene-2-carboxamide
C592-3477 Screening compound: N-{[4-(2-methoxyphenyl)-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 C592-3477
N-{[4-(2-methoxyphenyl)-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

C592-3477

Molecular Formula

C20H18N6O3S3 (C20 H18 N6 O3 S3)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1-n1c(SCC(Nc2nccs2)=O)nnc1CNC(c1cccs1)=O

InChI

InChI=1S/C20H18N6O3S3/c1-29-14-6-3-2-5-13(14)26-16(11-22-18(28)15-7-4-9-30-15)24-25-20(26)32-12-17(27)23-19-21-8-10-31-19/h2-10H,11-12H2,1H3,(H,22,28)(H,21,23,27)

InChI Key

MVYBELPJYGNLCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02088088

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.371

Distribution Coefficient, logD

2.371

Water Solubility, LogSw

-2.74

Polar Surface Area

92.349

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C592-3477 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 C592-3477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-3477?
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What is the minimum amount of C592-3477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-3477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-3477
  • 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 C592-3477 available by request