C592-2588 Screening compound: 2-{[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C592-2588 Screening compound: 2-{[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methyl-1,3-thiazol-2-yl)acetamide
C592-2588 Screening compound: 2-{[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methyl-1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-2588
2-{[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methyl-1,3-thiazol-2-yl)acetamide

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

C592-2588

Molecular Formula

C23H20N6O2S2 (C23 H20 N6 O2 S2)

Compound Name

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

IUPAC name

2-{[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}-N-(4-methyl-13-thiazol-2-yl)acetamide

SMILES

Cc1csc(NC(CSc2nnc(-c3c[nH]c4c3cccc4)n2-c(cc2)ccc2OC)=O)n1

InChI

InChI=1S/C23H20N6O2S2/c1-14-12-32-22(25-14)26-20(30)13-33-23-28-27-21(18-11-24-19-6-4-3-5-17(18)19)29(23)15-7-9-16(31-2)10-8-15/h3-12,24H,13H2,1-2H3,(H,25,26,30)

InChI Key

NSAHLPJILJMGFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04470070

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.459

Distribution Coefficient, logD

4.454

Water Solubility, LogSw

-4.30

Polar Surface Area

75.129

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

C592-2588 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C592-2588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-2588?
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What is the minimum amount of C592-2588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-2588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-2588
  • 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 C592-2588 available by request