C592-2732 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

C592-2732 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
C592-2732 Screening compound: N-(2H-1,3-benzodioxol-5-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 C592-2732
N-(2H-1,3-benzodioxol-5-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

C592-2732

Molecular Formula

C23H21N5O3S (C23 H21 N5 O3 S)

Compound Name

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

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-124-triazol-3-yl}sulfanyl)acetamide

SMILES

Cn1c(Cc(n2-c3ccccc3)nnc2SCC(Nc(cc2)cc3c2OCO3)=O)ccc1

InChI

InChI=1S/C23H21N5O3S/c1-27-11-5-8-18(27)13-21-25-26-23(28(21)17-6-3-2-4-7-17)32-14-22(29)24-16-9-10-19-20(12-16)31-15-30-19/h2-12H,13-15H2,1H3,(H,24,29)

InChI Key

NAWKKICUYVBRFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05902986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.52

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

3.547

Distribution Coefficient, logD

3.547

Water Solubility, LogSw

-3.83

Polar Surface Area

68.851

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

3.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

C592-2732 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C592-2732 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-2732?
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What is the minimum amount of C592-2732 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-2732
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-2732
  • 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 C592-2732 available by request