E869-0118 Screening compound: 8-benzoyl-N-(2,5-diethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

E869-0118 Screening compound: 8-benzoyl-N-(2,5-diethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
E869-0118 Screening compound: 8-benzoyl-N-(2,5-diethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E869-0118
8-benzoyl-N-(2,5-diethoxyphenyl)-[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

E869-0118

Molecular Formula

C26H23N5O3 (C26 H23 N5 O3)

Compound Name

8-benzoyl-N-(2,5-diethoxyphenyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

IUPAC name

8-benzoyl-N-(25-diethoxyphenyl)-[124]triazolo[43-a]quinoxalin-4-amine

SMILES

CCOc(cc1)cc(Nc2nc(ccc(C(c3ccccc3)=O)c3)c3n3c2nnc3)c1OCC

InChI

InChI=1S/C26H23N5O3/c1-3-33-19-11-13-23(34-4-2)21(15-19)29-25-26-30-27-16-31(26)22-14-18(10-12-20(22)28-25)24(32)17-8-6-5-7-9-17/h5-16H,3-4H2,1-2H3,(H,28,29)

InChI Key

BWXXDTUWFCMDPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14924979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.882

Distribution Coefficient, logD

4.882

Water Solubility, LogSw

-4.55

Polar Surface Area

67.181

Acid Dissociation Constant (pKa)

18.71

Base Dissociation Constant (pKb)

4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

E869-0118 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with E869-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E869-0118?
Check Price and Availability of E869-0118, 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 E869-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E869-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E869-0118
  • 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 E869-0118 available by request