P713-0587 Screening compound: 2-[7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-phenylacetamide

P713-0587 Screening compound: 2-[7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-phenylacetamide
P713-0587 Screening compound: 2-[7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P713-0587
2-[7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-phenylacetamide

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

P713-0587

Molecular Formula

C20H20N6O2 (C20 H20 N6 O2)

Compound Name

2-[7-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-N-phenylacetamide

IUPAC name

2-[7-(3-tert-butyl-124-oxadiazol-5-yl)-[124]triazolo[43-a]pyridin-3-yl]-N-phenylacetamide

SMILES

CC(C)(C)c1noc(-c2cc3nnc(CC(Nc4ccccc4)=O)n3cc2)n1

InChI

InChI=1S/C20H20N6O2/c1-20(2,3)19-22-18(28-25-19)13-9-10-26-15(11-13)23-24-16(26)12-17(27)21-14-7-5-4-6-8-14/h4-11H,12H2,1-3H3,(H,21,27)

InChI Key

OMCOZRCYFMENKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27613719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.830

Distribution Coefficient, logD

2.830

Water Solubility, LogSw

-3.39

Polar Surface Area

77.380

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

P713-0587 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P713-0587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P713-0587?
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What is the minimum amount of P713-0587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P713-0587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P713-0587
  • 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 P713-0587 available by request