C592-3893 Screening compound: 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

C592-3893 Screening compound: 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
C592-3893 Screening compound: 2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C592-3893
2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]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

C592-3893

Molecular Formula

C17H18N6OS2 (C17 H18 N6 OS2)

Compound Name

2-[(5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide

IUPAC name

2-[(5-{[(46-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-phenyl-4H-124-triazol-3-yl)sulfanyl]acetamide

SMILES

Cc1nc(SCc(n2-c3ccccc3)nnc2SCC(N)=O)nc(C)c1

InChI

InChI=1S/C17H18N6OS2/c1-11-8-12(2)20-16(19-11)25-10-15-21-22-17(26-9-14(18)24)23(15)13-6-4-3-5-7-13/h3-8H,9-10H2,1-2H3,(H2,18,24)

InChI Key

RGIZVTPFEZGZCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02589636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.667

Distribution Coefficient, logD

1.667

Water Solubility, LogSw

-2.24

Polar Surface Area

76.254

Acid Dissociation Constant (pKa)

15.73

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

C592-3893 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C592-3893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C592-3893?
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What is the minimum amount of C592-3893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C592-3893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C592-3893
  • 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 C592-3893 available by request