C592-1938 Screening compound: 4-methoxy-N-[(4-phenyl-5-{[(phenylcarbamoyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide

C592-1938 Screening compound: 4-methoxy-N-[(4-phenyl-5-{[(phenylcarbamoyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide
C592-1938 Screening compound: 4-methoxy-N-[(4-phenyl-5-{[(phenylcarbamoyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-1938
4-methoxy-N-[(4-phenyl-5-{[(phenylcarbamoyl)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

C592-1938

Molecular Formula

C25H23N5O3S (C25 H23 N5 O3 S)

Compound Name

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

IUPAC name

4-methoxy-N-[(4-phenyl-5-{[(phenylcarbamoyl)methyl]sulfanyl}-4H-124-triazol-3-yl)methyl]benzamide

SMILES

COc(cc1)ccc1C(NCc(n1-c2ccccc2)nnc1SCC(Nc1ccccc1)=O)=O

InChI

InChI=1S/C25H23N5O3S/c1-33-21-14-12-18(13-15-21)24(32)26-16-22-28-29-25(30(22)20-10-6-3-7-11-20)34-17-23(31)27-19-8-4-2-5-9-19/h2-15H,16-17H2,1H3,(H,26,32)(H,27,31)

InChI Key

JQLDUBZVIINQDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04376522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.56

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

3.263

Distribution Coefficient, logD

3.263

Water Solubility, LogSw

-3.65

Polar Surface Area

81.067

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C592-1938 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C592-1938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-1938?
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What is the minimum amount of C592-1938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-1938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-1938
  • 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 C592-1938 available by request