P516-0078 Screening compound: N-cyclopropyl-4-oxo-4H,5H-[1,2,3]triazolo[1,5-a]quinoxaline-3-carboxamide

P516-0078 Screening compound: N-cyclopropyl-4-oxo-4H,5H-[1,2,3]triazolo[1,5-a]quinoxaline-3-carboxamide
P516-0078 Screening compound: N-cyclopropyl-4-oxo-4H,5H-[1,2,3]triazolo[1,5-a]quinoxaline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P516-0078
N-cyclopropyl-4-oxo-4H,5H-[1,2,3]triazolo[1,5-a]quinoxaline-3-carboxamide

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

P516-0078

Molecular Formula

C13H11N5O2 (C13 H11 N5 O2)

Compound Name

N-cyclopropyl-4-oxo-4H,5H-[1,2,3]triazolo[1,5-a]quinoxaline-3-carboxamide

IUPAC name

N-cyclopropyl-4-oxo-4H5H-[123]triazolo[15-a]quinoxaline-3-carboxamide

SMILES

O=C(c1c(C(Nc2c-3cccc2)=O)n3nn1)NC1CC1

InChI

InChI=1S/C13H11N5O2/c19-12(14-7-5-6-7)10-11-13(20)15-8-3-1-2-4-9(8)18(11)17-16-10/h1-4,7H,5-6H2,(H,14,19)(H,15,20)

InChI Key

MRURENWBWRMKBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27578078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.559

Distribution Coefficient, logD

0.531

Water Solubility, LogSw

-1.90

Polar Surface Area

74.727

Acid Dissociation Constant (pKa)

8.57

Base Dissociation Constant (pKb)

-4.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

P516-0078 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

KRAS-Targeted Library (16000 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with P516-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P516-0078?
Check Price and Availability of P516-0078, 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 P516-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P516-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P516-0078
  • 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 P516-0078 available by request