E869-0053 Screening compound: 1-{8-benzoyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-4-methylpiperidine

E869-0053 Screening compound: 1-{8-benzoyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-4-methylpiperidine
E869-0053 Screening compound: 1-{8-benzoyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-4-methylpiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound E869-0053
1-{8-benzoyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-4-methylpiperidine

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

E869-0053

Molecular Formula

C22H21N5O (C22 H21 N5 O)

Compound Name

1-{8-benzoyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl}-4-methylpiperidine

IUPAC name

1-{8-benzoyl-[124]triazolo[43-a]quinoxalin-4-yl}-4-methylpiperidine

SMILES

CC(CC1)CCN1c1nc(ccc(C(c2ccccc2)=O)c2)c2n2c1nnc2

InChI

InChI=1S/C22H21N5O/c1-15-9-11-26(12-10-15)21-22-25-23-14-27(22)19-13-17(7-8-18(19)24-21)20(28)16-5-3-2-4-6-16/h2-8,13-15H,9-12H2,1H3

InChI Key

OSPUTXALGRBHGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14924961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.109

Distribution Coefficient, logD

4.109

Water Solubility, LogSw

-4.21

Polar Surface Area

47.379

Acid Dissociation Constant (pKa)

23.10

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

E869-0053 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E869-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E869-0053?
Check Price and Availability of E869-0053, 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 E869-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E869-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E869-0053
  • 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 E869-0053 available by request