P713-0810 Screening compound: 1-[3,4-dihydro-2(1H)-isoquinolinyl]-2-[7-(3-isopropyl-1,2,4-oxadiazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1-ethanone

P713-0810 Screening compound: 1-[3,4-dihydro-2(1H)-isoquinolinyl]-2-[7-(3-isopropyl-1,2,4-oxadiazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1-ethanone
P713-0810 Screening compound: 1-[3,4-dihydro-2(1H)-isoquinolinyl]-2-[7-(3-isopropyl-1,2,4-oxadiazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound P713-0810
1-[3,4-dihydro-2(1H)-isoquinolinyl]-2-[7-(3-isopropyl-1,2,4-oxadiazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1-ethanone

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

P713-0810

Molecular Formula

C22H22N6O2 (C22 H22 N6 O2)

Compound Name

1-[3,4-dihydro-2(1H)-isoquinolinyl]-2-[7-(3-isopropyl-1,2,4-oxadiazol-5-yl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]-1-ethanone

IUPAC name

n/a

SMILES

CC(C)c1noc(-c2cc3nnc(CC(N(CC4)Cc5c4cccc5)=O)n3cc2)n1

InChI

InChI=1S/C22H22N6O2/c1-14(2)21-23-22(30-26-21)16-8-10-28-18(11-16)24-25-19(28)12-20(29)27-9-7-15-5-3-4-6-17(15)13-27/h3-6,8,10-11,14H,7,9,12-13H2,1-2H3

InChI Key

QQKSBSRRDWOYLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27613774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.859

Distribution Coefficient, logD

2.859

Water Solubility, LogSw

-3.19

Polar Surface Area

70.285

Acid Dissociation Constant (pKa)

18.56

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

P713-0810 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 P713-0810 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P713-0810?
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What is the minimum amount of P713-0810 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P713-0810
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P713-0810
  • 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 P713-0810 available by request