6116-0079 Screening compound: [1,3]benzimidazo[1,2-c][1,2,3]benzotriazine

6116-0079 Screening compound: [1,3]benzimidazo[1,2-c][1,2,3]benzotriazine
6116-0079 Screening compound: [1,3]benzimidazo[1,2-c][1,2,3]benzotriazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6116-0079
[1,3]benzimidazo[1,2-c][1,2,3]benzotriazine

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

6116-0079

Molecular Formula

C13H8N4 (C13 H8 N4)

Compound Name

[1,3]benzimidazo[1,2-c][1,2,3]benzotriazine

IUPAC name

891017-tetraazatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-1(17)2(7)35811(16)1214-octaene

SMILES

c(cc1)cc2c1nc1n2nnc2c1cccc2

InChI

InChI=1S/C13H8N4/c1-2-6-10-9(5-1)13-14-11-7-3-4-8-12(11)17(13)16-15-10/h1-8H

InChI Key

KPCXPWQRKNQBMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00709182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

220.23

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.747

Distribution Coefficient, logD

2.747

Water Solubility, LogSw

-2.74

Polar Surface Area

31.398

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

6116-0079 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6116-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6116-0079?
Check Price and Availability of 6116-0079, 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 6116-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6116-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6116-0079
  • 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 6116-0079 available by request