E869-0021 Screening compound: 8-benzoyl-N-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

E869-0021 Screening compound: 8-benzoyl-N-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
E869-0021 Screening compound: 8-benzoyl-N-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E869-0021
8-benzoyl-N-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

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

E869-0021

Molecular Formula

C22H14ClN5O (C22 H14 ClN5 O)

Compound Name

8-benzoyl-N-(2-chlorophenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

IUPAC name

8-benzoyl-N-(2-chlorophenyl)-[124]triazolo[43-a]quinoxalin-4-amine

SMILES

O=C(c1ccccc1)c(cc1)cc(n2c3nnc2)c1nc3Nc(cccc1)c1Cl

InChI

InChI=1S/C22H14ClN5O/c23-16-8-4-5-9-17(16)25-21-22-27-24-13-28(22)19-12-15(10-11-18(19)26-21)20(29)14-6-2-1-3-7-14/h1-13H,(H,25,26)

InChI Key

FFAYHKICHZSIMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14924948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.441

Distribution Coefficient, logD

4.441

Water Solubility, LogSw

-4.63

Polar Surface Area

52.848

Acid Dissociation Constant (pKa)

19.23

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

E869-0021 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with E869-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E869-0021?
Check Price and Availability of E869-0021, 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 E869-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E869-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E869-0021
  • 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 E869-0021 available by request