E881-0235 Screening compound: 4-({8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}amino)phenol

E881-0235 Screening compound: 4-({8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}amino)phenol
E881-0235 Screening compound: 4-({8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}amino)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound E881-0235
4-({8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}amino)phenol

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

E881-0235

Molecular Formula

C23H17N5O2 (C23 H17 N5 O2)

Compound Name

4-({8-benzoyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}amino)phenol

IUPAC name

4-({8-benzoyl-1-methyl-[124]triazolo[43-a]quinoxalin-4-yl}amino)phenol

SMILES

Cc1nnc2n1c(cc(cc1)C(c3ccccc3)=O)c1nc2Nc(cc1)ccc1O

InChI

InChI=1S/C23H17N5O2/c1-14-26-27-23-22(24-17-8-10-18(29)11-9-17)25-19-12-7-16(13-20(19)28(14)23)21(30)15-5-3-2-4-6-15/h2-13,29H,1H3,(H,24,25)

InChI Key

HPWJKSZOOVTZBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.564

Distribution Coefficient, logD

3.562

Water Solubility, LogSw

-3.75

Polar Surface Area

71.334

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

E881-0235 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antifungal Library (16415 compounds)

Purinergic Library (3321 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cardiovascular
  • Metabolic
Agro:
  • Agro
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with E881-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E881-0235?
Check Price and Availability of E881-0235, 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 E881-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E881-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E881-0235
  • 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 E881-0235 available by request