P706-0721 Screening compound: 2-(1-{5-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-1H-imidazole-4-carbonyl)-1,2,3,4-tetrahydroisoquinoline

P706-0721 Screening compound: 2-(1-{5-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-1H-imidazole-4-carbonyl)-1,2,3,4-tetrahydroisoquinoline
P706-0721 Screening compound: 2-(1-{5-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-1H-imidazole-4-carbonyl)-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound P706-0721
2-(1-{5-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-1H-imidazole-4-carbonyl)-1,2,3,4-tetrahydroisoquinoline

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

P706-0721

Molecular Formula

C23H22N6O2 (C23 H22 N6 O2)

Compound Name

2-(1-{5-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-1H-imidazole-4-carbonyl)-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-(1-{5-[3-(propan-2-yl)-124-oxadiazol-5-yl]pyridin-2-yl}-1H-imidazole-4-carbonyl)-1234-tetrahydroisoquinoline

SMILES

CC(C)c1noc(-c(cc2)cnc2-n2cnc(C(N(CC3)Cc4c3cccc4)=O)c2)n1

InChI

InChI=1S/C23H22N6O2/c1-15(2)21-26-22(31-27-21)17-7-8-20(24-11-17)29-13-19(25-14-29)23(30)28-10-9-16-5-3-4-6-18(16)12-28/h3-8,11,13-15H,9-10,12H2,1-2H3

InChI Key

SPUQQKPNTWAETL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27613163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.47

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

4.107

Distribution Coefficient, logD

3.973

Water Solubility, LogSw

-4.02

Polar Surface Area

69.065

Acid Dissociation Constant (pKa)

25.61

Base Dissociation Constant (pKb)

6.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

P706-0721 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 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 P706-0721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P706-0721?
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What is the minimum amount of P706-0721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P706-0721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P706-0721
  • 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 P706-0721 available by request