M747-3159 Screening compound: 2-phenyl-1-{4-[2-(pyridin-3-yloxy)ethyl]piperidin-1-yl}butan-1-one

M747-3159 Screening compound: 2-phenyl-1-{4-[2-(pyridin-3-yloxy)ethyl]piperidin-1-yl}butan-1-one
M747-3159 Screening compound: 2-phenyl-1-{4-[2-(pyridin-3-yloxy)ethyl]piperidin-1-yl}butan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M747-3159
2-phenyl-1-{4-[2-(pyridin-3-yloxy)ethyl]piperidin-1-yl}butan-1-one

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

M747-3159

Molecular Formula

C22H28N2O2 (C22 H28 N2 O2)

Compound Name

2-phenyl-1-{4-[2-(pyridin-3-yloxy)ethyl]piperidin-1-yl}butan-1-one

IUPAC name

2-phenyl-1-{4-[2-(pyridin-3-yloxy)ethyl]piperidin-1-yl}butan-1-one

SMILES

CCC(C(N1CCC(CCOc2cnccc2)CC1)=O)c1ccccc1

InChI

InChI=1S/C22H28N2O2/c1-2-21(19-7-4-3-5-8-19)22(25)24-14-10-18(11-15-24)12-16-26-20-9-6-13-23-17-20/h3-9,13,17-18,21H,2,10-12,14-16H2,1H3/t21-/m1/s1

InChI Key

MZNZUWNZFGEOFU-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD29030008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.120

Distribution Coefficient, logD

4.117

Water Solubility, LogSw

-3.74

Polar Surface Area

33.551

Acid Dissociation Constant (pKa)

18.74

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

M747-3159 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Immunological Library (6760 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with M747-3159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M747-3159?
Check Price and Availability of M747-3159, 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 M747-3159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M747-3159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M747-3159
  • 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 M747-3159 available by request