C592-2746 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

C592-2746 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
C592-2746 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-2746
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

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

C592-2746

Molecular Formula

C19H19N7OS2 (C19 H19 N7 OS2)

Compound Name

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

IUPAC name

N-(5-methyl-134-thiadiazol-2-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-124-triazol-3-yl}sulfanyl)acetamide

SMILES

Cc1nnc(NC(CSc2nnc(Cc3cccn3C)n2-c2ccccc2)=O)s1

InChI

InChI=1S/C19H19N7OS2/c1-13-21-23-18(29-13)20-17(27)12-28-19-24-22-16(11-15-9-6-10-25(15)2)26(19)14-7-4-3-5-8-14/h3-10H,11-12H2,1-2H3,(H,20,23,27)

InChI Key

LMYZBPQHPOMRRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05903016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.541

Distribution Coefficient, logD

2.500

Water Solubility, LogSw

-2.77

Polar Surface Area

75.087

Acid Dissociation Constant (pKa)

8.41

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

C592-2746 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 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
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C592-2746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-2746?
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What is the minimum amount of C592-2746 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-2746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-2746
  • 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 C592-2746 available by request