C592-3180 Screening compound: N-{[5-({[(2,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide

C592-3180 Screening compound: N-{[5-({[(2,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
C592-3180 Screening compound: N-{[5-({[(2,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-3180
N-{[5-({[(2,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide

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

C592-3180

Molecular Formula

C26H25N5O2S (C26 H25 N5 O2 S)

Compound Name

N-{[5-({[(2,5-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide

IUPAC name

N-{[5-({[(25-dimethylphenyl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-124-triazol-3-yl]methyl}benzamide

SMILES

Cc1cc(NC(CSc2nnc(CNC(c3ccccc3)=O)n2-c2ccccc2)=O)c(C)cc1

InChI

InChI=1S/C26H25N5O2S/c1-18-13-14-19(2)22(15-18)28-24(32)17-34-26-30-29-23(31(26)21-11-7-4-8-12-21)16-27-25(33)20-9-5-3-6-10-20/h3-15H,16-17H2,1-2H3,(H,27,33)(H,28,32)

InChI Key

GZOKKVIAZMNBKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05910674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.408

Distribution Coefficient, logD

3.408

Water Solubility, LogSw

-3.76

Polar Surface Area

72.825

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

C592-3180 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C592-3180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-3180?
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What is the minimum amount of C592-3180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-3180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-3180
  • 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 C592-3180 available by request