C592-1980 Screening compound: N-{[4-ethyl-5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methoxybenzamide

C592-1980 Screening compound: N-{[4-ethyl-5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methoxybenzamide
C592-1980 Screening compound: N-{[4-ethyl-5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-1980
N-{[4-ethyl-5-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methoxybenzamide

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

C592-1980

Molecular Formula

C22H25N5O3S (C22 H25 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(SCC(Nc2cc(C)ccc2)=O)nnc1CNC(c(cc1)ccc1OC)=O

InChI

InChI=1S/C22H25N5O3S/c1-4-27-19(13-23-21(29)16-8-10-18(30-3)11-9-16)25-26-22(27)31-14-20(28)24-17-7-5-6-15(2)12-17/h5-12H,4,13-14H2,1-3H3,(H,23,29)(H,24,28)

InChI Key

SUOZGMMUTCKYRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04346353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.978

Distribution Coefficient, logD

2.978

Water Solubility, LogSw

-3.32

Polar Surface Area

80.320

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C592-1980 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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 C592-1980 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C592-1980 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-1980
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-1980
  • 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 C592-1980 available by request