C456-0076 Screening compound: 3-(ethylsulfanyl)-9-phenyl-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazole

C456-0076 Screening compound: 3-(ethylsulfanyl)-9-phenyl-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazole
C456-0076 Screening compound: 3-(ethylsulfanyl)-9-phenyl-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C456-0076
3-(ethylsulfanyl)-9-phenyl-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazole

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

C456-0076

Molecular Formula

C16H14N4S (C16 H14 N4 S)

Compound Name

3-(ethylsulfanyl)-9-phenyl-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazole

IUPAC name

3-(ethylsulfanyl)-7-phenyl-2457-tetraazatricyclo[6.4.0.0^{26}]dodeca-1(8)35911-pentaene

SMILES

CCSc(n1c2c3cccc2)nnc1n3-c1ccccc1

InChI

InChI=1S/C16H14N4S/c1-2-21-16-18-17-15-19(12-8-4-3-5-9-12)13-10-6-7-11-14(13)20(15)16/h3-11H,2H2,1H3

InChI Key

NQBYQZCKOYLZIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05838278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.455

Distribution Coefficient, logD

3.455

Water Solubility, LogSw

-3.56

Polar Surface Area

25.670

Acid Dissociation Constant (pKa)

25.21

Base Dissociation Constant (pKb)

4.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C456-0076 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C456-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C456-0076?
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What is the minimum amount of C456-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C456-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C456-0076
  • 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 C456-0076 available by request