E881-0187 Screening compound: 8-benzoyl-1-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

E881-0187 Screening compound: 8-benzoyl-1-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
E881-0187 Screening compound: 8-benzoyl-1-methyl-N-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E881-0187
8-benzoyl-1-methyl-N-(2-phenylethyl)-[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

E881-0187

Molecular Formula

C25H21N5O (C25 H21 N5 O)

Compound Name

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

IUPAC name

8-benzoyl-1-methyl-N-(2-phenylethyl)-[124]triazolo[43-a]quinoxalin-4-amine

SMILES

Cc1nnc2n1c(cc(cc1)C(c3ccccc3)=O)c1nc2NCCc1ccccc1

InChI

InChI=1S/C25H21N5O/c1-17-28-29-25-24(26-15-14-18-8-4-2-5-9-18)27-21-13-12-20(16-22(21)30(17)25)23(31)19-10-6-3-7-11-19/h2-13,16H,14-15H2,1H3,(H,26,27)

InChI Key

YIOCGCWLMTUERD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09053637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.110

Distribution Coefficient, logD

4.110

Water Solubility, LogSw

-4.29

Polar Surface Area

54.880

Acid Dissociation Constant (pKa)

21.00

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

E881-0187 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Purinergic Library (3321 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E881-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E881-0187?
Check Price and Availability of E881-0187, 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 E881-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E881-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E881-0187
  • 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 E881-0187 available by request