P516-0759 Screening compound: ethyl 4-{[(7-fluoro-4-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinoxalin-3-yl)carbonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate

P516-0759 Screening compound: ethyl 4-{[(7-fluoro-4-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinoxalin-3-yl)carbonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate
P516-0759 Screening compound: ethyl 4-{[(7-fluoro-4-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinoxalin-3-yl)carbonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound P516-0759
ethyl 4-{[(7-fluoro-4-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinoxalin-3-yl)carbonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate

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

P516-0759

Molecular Formula

C18H19FN6O4 (C18 H19 FN6 O4)

Compound Name

ethyl 4-{[(7-fluoro-4-oxo-4,5-dihydro[1,2,3]triazolo[1,5-a]quinoxalin-3-yl)carbonyl]amino}tetrahydro-1(2H)-pyridinecarboxylate

IUPAC name

ethyl 4-{7-fluoro-4-oxo-4H5H-[123]triazolo[15-a]quinoxaline-3-amido}piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(c1c(C(Nc2c-3ccc(F)c2)=O)n3nn1)=O)=O

InChI

InChI=1S/C18H19FN6O4/c1-2-29-18(28)24-7-5-11(6-8-24)20-16(26)14-15-17(27)21-12-9-10(19)3-4-13(12)25(15)23-22-14/h3-4,9,11H,2,5-8H2,1H3,(H,20,26)(H,21,27)

InChI Key

LDCOTAYROLOMMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27603573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.217

Distribution Coefficient, logD

0.427

Water Solubility, LogSw

-2.26

Polar Surface Area

97.176

Acid Dissociation Constant (pKa)

6.69

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.89

P516-0759 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P516-0759 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P516-0759?
Check Price and Availability of P516-0759, 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 P516-0759 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P516-0759
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P516-0759
  • 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 P516-0759 available by request