E869-0122 Screening compound: 2-({8-benzoyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}amino)-4-methylphenol

E869-0122 Screening compound: 2-({8-benzoyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}amino)-4-methylphenol
E869-0122 Screening compound: 2-({8-benzoyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}amino)-4-methylphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound E869-0122
2-({8-benzoyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}amino)-4-methylphenol

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

E869-0122

Molecular Formula

C23H17N5O2 (C23 H17 N5 O2)

Compound Name

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

IUPAC name

2-({8-benzoyl-[124]triazolo[43-a]quinoxalin-4-yl}amino)-4-methylphenol

SMILES

Cc(cc1)cc(Nc2nc(ccc(C(c3ccccc3)=O)c3)c3n3c2nnc3)c1O

InChI

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

InChI Key

MKOAHQHMVRGOLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14924981

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

4.030

Distribution Coefficient, logD

4.030

Water Solubility, LogSw

-3.77

Polar Surface Area

69.396

Acid Dissociation Constant (pKa)

10.91

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

E869-0122 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E869-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E869-0122?
Check Price and Availability of E869-0122, 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 E869-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E869-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E869-0122
  • 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 E869-0122 available by request