C456-0074 Screening compound: 9-phenyl-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylhydrosulfide

C456-0074 Screening compound: 9-phenyl-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylhydrosulfide
C456-0074 Screening compound: 9-phenyl-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound C456-0074
9-phenyl-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylhydrosulfide

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

C456-0074

Molecular Formula

C14H10N4S (C14 H10 N4 S)

Compound Name

9-phenyl-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylhydrosulfide

IUPAC name

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

SMILES

Sc(n1c2c3cccc2)nnc1n3-c1ccccc1

InChI

InChI=1S/C14H10N4S/c19-14-16-15-13-17(10-6-2-1-3-7-10)11-8-4-5-9-12(11)18(13)14/h1-9H,(H,16,19)

InChI Key

LMZGCEOINURCOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05838277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.466

Distribution Coefficient, logD

2.465

Water Solubility, LogSw

-2.31

Polar Surface Area

24.144

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

C456-0074 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C456-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C456-0074?
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What is the minimum amount of C456-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C456-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C456-0074
  • 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 C456-0074 available by request