C456-0034 Screening compound: 9-methyl-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylhydrosulfide

C456-0034 Screening compound: 9-methyl-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylhydrosulfide
C456-0034 Screening compound: 9-methyl-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound C456-0034
9-methyl-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

C456-0034

Molecular Formula

C9H8N4S (C9 H8 N4 S)

Compound Name

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

IUPAC name

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

SMILES

Cn(c(cccc1)c1n12)c2nnc1S

InChI

InChI=1S/C9H8N4S/c1-12-6-4-2-3-5-7(6)13-8(12)10-11-9(13)14/h2-5H,1H3,(H,11,14)

InChI Key

KKRXWMLLDAIWCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

204.26

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.093

Distribution Coefficient, logD

1.081

Water Solubility, LogSw

-0.89

Polar Surface Area

24.482

Acid Dissociation Constant (pKa)

9.09

Base Dissociation Constant (pKb)

5.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with C456-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C456-0034?
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What is the minimum amount of C456-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C456-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C456-0034
  • 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 C456-0034 available by request