C456-0042 Screening compound: 9-ethyl-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylhydrosulfide

C456-0042 Screening compound: 9-ethyl-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylhydrosulfide
C456-0042 Screening compound: 9-ethyl-9H-[1,2,4]triazolo[4,3-a][1,3]benzimidazol-3-ylhydrosulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound C456-0042
9-ethyl-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

C456-0042

Molecular Formula

C10H10N4S (C10 H10 N4 S)

Compound Name

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

IUPAC name

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

SMILES

CCn(c(cccc1)c1n12)c2nnc1S

InChI

InChI=1S/C10H10N4S/c1-2-13-7-5-3-4-6-8(7)14-9(13)11-12-10(14)15/h3-6H,2H2,1H3,(H,12,15)

InChI Key

FTTCCTYOFDPNFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03765605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

218.28

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

1.733

Distribution Coefficient, logD

1.721

Water Solubility, LogSw

-1.54

Polar Surface Area

23.397

Acid Dissociation Constant (pKa)

9.09

Base Dissociation Constant (pKb)

5.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C456-0042 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with C456-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C456-0042?
Check Price and Availability of C456-0042, 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 C456-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C456-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C456-0042
  • 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 C456-0042 available by request