P166-0794 Screening compound: 1-(5-{5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl}pyridin-2-yl)azepane

P166-0794 Screening compound: 1-(5-{5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl}pyridin-2-yl)azepane
P166-0794 Screening compound: 1-(5-{5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl}pyridin-2-yl)azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound P166-0794
1-(5-{5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl}pyridin-2-yl)azepane

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

P166-0794

Molecular Formula

C21H24N4O (C21 H24 N4 O)

Compound Name

1-(5-{5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl}pyridin-2-yl)azepane

IUPAC name

1-(5-{5-[(4-methylphenyl)methyl]-124-oxadiazol-3-yl}pyridin-2-yl)azepane

SMILES

Cc1ccc(Cc2nc(-c(cc3)cnc3N3CCCCCC3)no2)cc1

InChI

InChI=1S/C21H24N4O/c1-16-6-8-17(9-7-16)14-20-23-21(24-26-20)18-10-11-19(22-15-18)25-12-4-2-3-5-13-25/h6-11,15H,2-5,12-14H2,1H3

InChI Key

AVSGNCGNPFDDEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27567317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.656

Distribution Coefficient, logD

4.977

Water Solubility, LogSw

-5.30

Polar Surface Area

43.694

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

7.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

P166-0794 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P166-0794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P166-0794?
Check Price and Availability of P166-0794, 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 P166-0794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P166-0794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P166-0794
  • 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 P166-0794 available by request