M747-1006 Screening compound: 3-[4-(2-phenoxyethyl)piperidine-1-carbonyl]benzonitrile

M747-1006 Screening compound: 3-[4-(2-phenoxyethyl)piperidine-1-carbonyl]benzonitrile
M747-1006 Screening compound: 3-[4-(2-phenoxyethyl)piperidine-1-carbonyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound M747-1006
3-[4-(2-phenoxyethyl)piperidine-1-carbonyl]benzonitrile

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

M747-1006

Molecular Formula

C21H22N2O2 (C21 H22 N2 O2)

Compound Name

3-[4-(2-phenoxyethyl)piperidine-1-carbonyl]benzonitrile

IUPAC name

3-[4-(2-phenoxyethyl)piperidine-1-carbonyl]benzonitrile

SMILES

N#Cc1cccc(C(N2CCC(CCOc3ccccc3)CC2)=O)c1

InChI

InChI=1S/C21H22N2O2/c22-16-18-5-4-6-19(15-18)21(24)23-12-9-17(10-13-23)11-14-25-20-7-2-1-3-8-20/h1-8,15,17H,9-14H2

InChI Key

ZYZPONOHFGHCII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29019310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.630

Distribution Coefficient, logD

3.630

Water Solubility, LogSw

-4.00

Polar Surface Area

41.089

Acid Dissociation Constant (pKa)

25.88

Base Dissociation Constant (pKb)

-2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

M747-1006 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Receptor's ligands
Targets:
  • Nuclear receptors
  • Proteases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M747-1006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M747-1006?
Check Price and Availability of M747-1006, 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 M747-1006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M747-1006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M747-1006
  • 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 M747-1006 available by request