P516-0668 Screening compound: 3-(4-phenylpiperazine-1-carbonyl)-4H,5H-[1,2,3]triazolo[1,5-a]quinoxalin-4-one

P516-0668 Screening compound: 3-(4-phenylpiperazine-1-carbonyl)-4H,5H-[1,2,3]triazolo[1,5-a]quinoxalin-4-one
P516-0668 Screening compound: 3-(4-phenylpiperazine-1-carbonyl)-4H,5H-[1,2,3]triazolo[1,5-a]quinoxalin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P516-0668
3-(4-phenylpiperazine-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

P516-0668

Molecular Formula

C20H18N6O2 (C20 H18 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1c(C(Nc2c-3cccc2)=O)n3nn1)N(CC1)CCN1c1ccccc1

InChI

InChI=1S/C20H18N6O2/c27-19-18-17(22-23-26(18)16-9-5-4-8-15(16)21-19)20(28)25-12-10-24(11-13-25)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,21,27)

InChI Key

DAIJLHMTPQPPFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27603524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.846

Distribution Coefficient, logD

1.840

Water Solubility, LogSw

-2.27

Polar Surface Area

70.166

Acid Dissociation Constant (pKa)

9.29

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with P516-0668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P516-0668?
Check Price and Availability of P516-0668, 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 P516-0668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P516-0668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P516-0668
  • 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 P516-0668 available by request