P516-0042 Screening compound: 3-(4-benzylpiperidine-1-carbonyl)-4H,5H-[1,2,3]triazolo[1,5-a]quinoxalin-4-one

P516-0042 Screening compound: 3-(4-benzylpiperidine-1-carbonyl)-4H,5H-[1,2,3]triazolo[1,5-a]quinoxalin-4-one
P516-0042 Screening compound: 3-(4-benzylpiperidine-1-carbonyl)-4H,5H-[1,2,3]triazolo[1,5-a]quinoxalin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P516-0042
3-(4-benzylpiperidine-1-carbonyl)-4H,5H-[1,2,3]triazolo[1,5-a]quinoxalin-4-one

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

P516-0042

Molecular Formula

C22H21N5O2 (C22 H21 N5 O2)

Compound Name

3-(4-benzylpiperidine-1-carbonyl)-4H,5H-[1,2,3]triazolo[1,5-a]quinoxalin-4-one

IUPAC name

3-(4-benzylpiperidine-1-carbonyl)-4H5H-[123]triazolo[15-a]quinoxalin-4-one

SMILES

O=C(c1c(C(Nc2c-3cccc2)=O)n3nn1)N1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C22H21N5O2/c28-21-20-19(24-25-27(20)18-9-5-4-8-17(18)23-21)22(29)26-12-10-16(11-13-26)14-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,23,28)

InChI Key

LIXRFERRWGBWOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27578063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.181

Distribution Coefficient, logD

3.176

Water Solubility, LogSw

-3.41

Polar Surface Area

66.634

Acid Dissociation Constant (pKa)

9.29

Base Dissociation Constant (pKb)

-4.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

P516-0042 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P516-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P516-0042?
Check Price and Availability of P516-0042, 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 P516-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P516-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P516-0042
  • 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 P516-0042 available by request