C592-3815 Screening compound: 2-{[5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide

C592-3815 Screening compound: 2-{[5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide
C592-3815 Screening compound: 2-{[5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-3815
2-{[5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)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

C592-3815

Molecular Formula

C24H21BrN4OS (C24 H21 BrN4 OS)

Compound Name

2-{[5-(2-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethylphenyl)acetamide

IUPAC name

2-{[5-(2-bromophenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}-N-(26-dimethylphenyl)acetamide

SMILES

Cc1cccc(C)c1NC(CSc1nnc(-c(cccc2)c2Br)n1-c1ccccc1)=O

InChI

InChI=1S/C24H21BrN4OS/c1-16-9-8-10-17(2)22(16)26-21(30)15-31-24-28-27-23(19-13-6-7-14-20(19)25)29(24)18-11-4-3-5-12-18/h3-14H,15H2,1-2H3,(H,26,30)

InChI Key

WVWNJPVBJDMGPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03765317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.935

Distribution Coefficient, logD

4.935

Water Solubility, LogSw

-4.61

Polar Surface Area

46.466

Acid Dissociation Constant (pKa)

12.41

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C592-3815 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C592-3815 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-3815?
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What is the minimum amount of C592-3815 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-3815
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-3815
  • 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 C592-3815 available by request