E869-0086 Screening compound: 8-benzoyl-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

E869-0086 Screening compound: 8-benzoyl-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
E869-0086 Screening compound: 8-benzoyl-N-(3-methoxypropyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E869-0086
8-benzoyl-N-(3-methoxypropyl)-[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

E869-0086

Molecular Formula

C20H19N5O2 (C20 H19 N5 O2)

Compound Name

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

IUPAC name

8-benzoyl-N-(3-methoxypropyl)-[124]triazolo[43-a]quinoxalin-4-amine

SMILES

COCCCNc1nc(ccc(C(c2ccccc2)=O)c2)c2n2c1nnc2

InChI

InChI=1S/C20H19N5O2/c1-27-11-5-10-21-19-20-24-22-13-25(20)17-12-15(8-9-16(17)23-19)18(26)14-6-3-2-4-7-14/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,21,23)

InChI Key

NZFUFDJFARRZNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09053660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.758

Distribution Coefficient, logD

2.758

Water Solubility, LogSw

-3.39

Polar Surface Area

63.323

Acid Dissociation Constant (pKa)

21.95

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

E869-0086 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with E869-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E869-0086?
Check Price and Availability of E869-0086, 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 E869-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E869-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E869-0086
  • 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 E869-0086 available by request