P705-0113 Screening compound: 2-{1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1H-imidazole-4-carbonyl}-1,2,3,4-tetrahydroisoquinoline

P705-0113 Screening compound: 2-{1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1H-imidazole-4-carbonyl}-1,2,3,4-tetrahydroisoquinoline
P705-0113 Screening compound: 2-{1-[4-(3-methyl-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 P705-0113
2-{1-[4-(3-methyl-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

P705-0113

Molecular Formula

C21H18N6O2 (C21 H18 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1noc(-c2cc(-n3cnc(C(N(CC4)Cc5c4cccc5)=O)c3)ncc2)n1

InChI

InChI=1S/C21H18N6O2/c1-14-24-20(29-25-14)16-6-8-22-19(10-16)27-12-18(23-13-27)21(28)26-9-7-15-4-2-3-5-17(15)11-26/h2-6,8,10,12-13H,7,9,11H2,1H3

InChI Key

ILEUQTDIYCWEKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27612953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.979

Distribution Coefficient, logD

2.978

Water Solubility, LogSw

-3.03

Polar Surface Area

68.588

Acid Dissociation Constant (pKa)

25.61

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

P705-0113 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P705-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P705-0113?
Check Price and Availability of P705-0113, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P705-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P705-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P705-0113
  • 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 P705-0113 available by request