E869-0008 Screening compound: 4-{8-benzoyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-2-methyl-1-(3-methylphenyl)piperazine

E869-0008 Screening compound: 4-{8-benzoyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-2-methyl-1-(3-methylphenyl)piperazine
E869-0008 Screening compound: 4-{8-benzoyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-2-methyl-1-(3-methylphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E869-0008
4-{8-benzoyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-2-methyl-1-(3-methylphenyl)piperazine

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

E869-0008

Molecular Formula

C28H26N6O (C28 H26 N6 O)

Compound Name

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

IUPAC name

4-{8-benzoyl-[124]triazolo[43-a]quinoxalin-4-yl}-2-methyl-1-(3-methylphenyl)piperazine

SMILES

CC(CN(CC1)c2nc(ccc(C(c3ccccc3)=O)c3)c3n3c2nnc3)N1c1cc(C)ccc1

InChI

InChI=1S/C28H26N6O/c1-19-7-6-10-23(15-19)33-14-13-32(17-20(33)2)27-28-31-29-18-34(28)25-16-22(11-12-24(25)30-27)26(35)21-8-4-3-5-9-21/h3-12,15-16,18,20H,13-14,17H2,1-2H3/t20-/m0/s1

InChI Key

FWRNKSIUZXLGMA-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14924945

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.049

Distribution Coefficient, logD

5.049

Water Solubility, LogSw

-4.76

Polar Surface Area

49.857

Acid Dissociation Constant (pKa)

23.56

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

E869-0008 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E869-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E869-0008?
Check Price and Availability of E869-0008, 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 E869-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E869-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E869-0008
  • 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 E869-0008 available by request