P713-0803 Screening compound: N-benzyl-N-methyl-2-{7-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl}acetamide

P713-0803 Screening compound: N-benzyl-N-methyl-2-{7-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl}acetamide
P713-0803 Screening compound: N-benzyl-N-methyl-2-{7-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P713-0803
N-benzyl-N-methyl-2-{7-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl}acetamide

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

P713-0803

Molecular Formula

C21H22N6O2 (C21 H22 N6 O2)

Compound Name

N-benzyl-N-methyl-2-{7-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl}acetamide

IUPAC name

N-benzyl-N-methyl-2-{7-[3-(propan-2-yl)-124-oxadiazol-5-yl]-[124]triazolo[43-a]pyridin-3-yl}acetamide

SMILES

CC(C)c1noc(-c2cc3nnc(CC(N(C)Cc4ccccc4)=O)n3cc2)n1

InChI

InChI=1S/C21H22N6O2/c1-14(2)20-22-21(29-25-20)16-9-10-27-17(11-16)23-24-18(27)12-19(28)26(3)13-15-7-5-4-6-8-15/h4-11,14H,12-13H2,1-3H3

InChI Key

BDUBCFKICUYUKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27613769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.833

Distribution Coefficient, logD

2.833

Water Solubility, LogSw

-3.24

Polar Surface Area

70.125

Acid Dissociation Constant (pKa)

18.24

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

P713-0803 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 P713-0803 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P713-0803?
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What is the minimum amount of P713-0803 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P713-0803
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P713-0803
  • 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 P713-0803 available by request