C592-3185 Screening compound: N-{[4-(3-methylphenyl)-5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

C592-3185 Screening compound: N-{[4-(3-methylphenyl)-5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
C592-3185 Screening compound: N-{[4-(3-methylphenyl)-5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-3185
N-{[4-(3-methylphenyl)-5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-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

C592-3185

Molecular Formula

C26H25N5O2S (C26 H25 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(NC(CSc2nnc(CNC(c3ccccc3)=O)n2-c2cc(C)ccc2)=O)c1

InChI

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

InChI Key

OSDOMWSKZMDQPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04415560

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

4.316

Distribution Coefficient, logD

4.316

Water Solubility, LogSw

-4.30

Polar Surface Area

73.523

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

C592-3185 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C592-3185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-3185?
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What is the minimum amount of C592-3185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-3185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-3185
  • 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 C592-3185 available by request