C592-3182 Screening compound: N-{[5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide

C592-3182 Screening compound: N-{[5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
C592-3182 Screening compound: N-{[5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-3182
N-{[5-({[(5-methyl-1,3,4-thiadiazol-2-yl)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

C592-3182

Molecular Formula

C21H19N7O2S2 (C21 H19 N7 O2 S2)

Compound Name

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

IUPAC name

N-{[5-({[(5-methyl-134-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4-phenyl-4H-124-triazol-3-yl]methyl}benzamide

SMILES

Cc1nnc(NC(CSc2nnc(CNC(c3ccccc3)=O)n2-c2ccccc2)=O)s1

InChI

InChI=1S/C21H19N7O2S2/c1-14-24-26-20(32-14)23-18(29)13-31-21-27-25-17(28(21)16-10-6-3-7-11-16)12-22-19(30)15-8-4-2-5-9-15/h2-11H,12-13H2,1H3,(H,22,30)(H,23,26,29)

InChI Key

ZPDZGHXNLMPKAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04415557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.194

Distribution Coefficient, logD

2.154

Water Solubility, LogSw

-2.65

Polar Surface Area

96.874

Acid Dissociation Constant (pKa)

8.41

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C592-3182 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 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
  • Pool

References: we are preparing a list of scientific research reports with C592-3182 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C592-3182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-3182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-3182
  • 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 C592-3182 available by request