P166-1348 Screening compound: 5-{5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl}-2-(piperidin-1-yl)pyridine

P166-1348 Screening compound: 5-{5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl}-2-(piperidin-1-yl)pyridine
P166-1348 Screening compound: 5-{5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl}-2-(piperidin-1-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound P166-1348
5-{5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl}-2-(piperidin-1-yl)pyridine

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

P166-1348

Molecular Formula

C25H31N5O (C25 H31 N5 O)

Compound Name

5-{5-[(4-benzylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl}-2-(piperidin-1-yl)pyridine

IUPAC name

5-{5-[(4-benzylpiperidin-1-yl)methyl]-124-oxadiazol-3-yl}-2-(piperidin-1-yl)pyridine

SMILES

C(C1CCN(Cc2nc(-c(cc3)cnc3N3CCCCC3)no2)CC1)c1ccccc1

InChI

InChI=1S/C25H31N5O/c1-3-7-20(8-4-1)17-21-11-15-29(16-12-21)19-24-27-25(28-31-24)22-9-10-23(26-18-22)30-13-5-2-6-14-30/h1,3-4,7-10,18,21H,2,5-6,11-17,19H2

InChI Key

VFIVTRPDKGINAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27567359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.660

Distribution Coefficient, logD

4.349

Water Solubility, LogSw

-5.79

Polar Surface Area

47.096

Acid Dissociation Constant (pKa)

24.18

Base Dissociation Constant (pKb)

8.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

P166-1348 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 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 P166-1348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P166-1348?
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What is the minimum amount of P166-1348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P166-1348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P166-1348
  • 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 P166-1348 available by request