C592-2735 Screening compound: N-(3-acetamidophenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

C592-2735 Screening compound: N-(3-acetamidophenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
C592-2735 Screening compound: N-(3-acetamidophenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-2735
N-(3-acetamidophenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)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

C592-2735

Molecular Formula

C24H24N6O2S (C24 H24 N6 O2 S)

Compound Name

N-(3-acetamidophenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

IUPAC name

N-(3-acetamidophenyl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-124-triazol-3-yl}sulfanyl)acetamide

SMILES

CC(Nc1cccc(NC(CSc2nnc(Cc3cccn3C)n2-c2ccccc2)=O)c1)=O

InChI

InChI=1S/C24H24N6O2S/c1-17(31)25-18-8-6-9-19(14-18)26-23(32)16-33-24-28-27-22(15-21-12-7-13-29(21)2)30(24)20-10-4-3-5-11-20/h3-14H,15-16H2,1-2H3,(H,25,31)(H,26,32)

InChI Key

HUYGMLCLOHDIED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05902999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.919

Distribution Coefficient, logD

2.919

Water Solubility, LogSw

-3.35

Polar Surface Area

74.998

Acid Dissociation Constant (pKa)

13.48

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C592-2735 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C592-2735 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-2735?
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What is the minimum amount of C592-2735 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-2735
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-2735
  • 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 C592-2735 available by request