C456-0026 Screening compound: 2,9-dihydro-3H-[1,2,4]triazolo[4,3-a][1,3]benzimidazole-3-thione

C456-0026 Screening compound: 2,9-dihydro-3H-[1,2,4]triazolo[4,3-a][1,3]benzimidazole-3-thione
C456-0026 Screening compound: 2,9-dihydro-3H-[1,2,4]triazolo[4,3-a][1,3]benzimidazole-3-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound C456-0026
2,9-dihydro-3H-[1,2,4]triazolo[4,3-a][1,3]benzimidazole-3-thione

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

C456-0026

Molecular Formula

C8H6N4S (C8 H6 N4 S)

Compound Name

2,9-dihydro-3H-[1,2,4]triazolo[4,3-a][1,3]benzimidazole-3-thione

IUPAC name

n/a

SMILES

S=C1N(c(cccc2)c2N2)C2=NN1

InChI

InChI=1S/C8H6N4S/c13-8-11-10-7-9-5-3-1-2-4-6(5)12(7)8/h1-4H,(H,9,10)(H,11,13)

InChI Key

BJNKXZQNKYMVMM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

190.23

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.749

Distribution Coefficient, logD

-0.699

Water Solubility, LogSw

-1.95

Polar Surface Area

39.658

Acid Dissociation Constant (pKa)

4.95

Base Dissociation Constant (pKb)

4.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with C456-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C456-0026?
Check Price and Availability of C456-0026, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C456-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C456-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C456-0026
  • 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 C456-0026 available by request