P713-0786 Screening compound: N-[(3-chlorophenyl)methyl]-2-{7-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl}acetamide

P713-0786 Screening compound: N-[(3-chlorophenyl)methyl]-2-{7-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl}acetamide
P713-0786 Screening compound: N-[(3-chlorophenyl)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 P713-0786
N-[(3-chlorophenyl)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

P713-0786

Molecular Formula

C20H19ClN6O2 (C20 H19 ClN6 O2)

Compound Name

N-[(3-chlorophenyl)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-[(3-chlorophenyl)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(NCc4cccc(Cl)c4)=O)n3cc2)n1

InChI

InChI=1S/C20H19ClN6O2/c1-12(2)19-23-20(29-26-19)14-6-7-27-16(9-14)24-25-17(27)10-18(28)22-11-13-4-3-5-15(21)8-13/h3-9,12H,10-11H2,1-2H3,(H,22,28)

InChI Key

GUOURCOTSYOXQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27613761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.935

Distribution Coefficient, logD

2.935

Water Solubility, LogSw

-3.62

Polar Surface Area

78.702

Acid Dissociation Constant (pKa)

13.21

Base Dissociation Constant (pKb)

1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

P713-0786 in Drug Discovery

Included in Screening Libraries

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 P713-0786 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P713-0786?
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What is the minimum amount of P713-0786 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P713-0786
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P713-0786
  • 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 P713-0786 available by request