G886-0074 Screening compound: 2-(3-methylphenoxy)-1-[4-(pyridin-4-yl)piperidin-1-yl]ethan-1-one

G886-0074 Screening compound: 2-(3-methylphenoxy)-1-[4-(pyridin-4-yl)piperidin-1-yl]ethan-1-one
G886-0074 Screening compound: 2-(3-methylphenoxy)-1-[4-(pyridin-4-yl)piperidin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G886-0074
2-(3-methylphenoxy)-1-[4-(pyridin-4-yl)piperidin-1-yl]ethan-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

G886-0074

Molecular Formula

C19H22N2O2 (C19 H22 N2 O2)

Compound Name

2-(3-methylphenoxy)-1-[4-(pyridin-4-yl)piperidin-1-yl]ethan-1-one

IUPAC name

2-(3-methylphenoxy)-1-[4-(pyridin-4-yl)piperidin-1-yl]ethan-1-one

SMILES

Cc1cccc(OCC(N(CC2)CCC2c2ccncc2)=O)c1

InChI

InChI=1S/C19H22N2O2/c1-15-3-2-4-18(13-15)23-14-19(22)21-11-7-17(8-12-21)16-5-9-20-10-6-16/h2-6,9-10,13,17H,7-8,11-12,14H2,1H3

InChI Key

AHFFVZHVRSQNOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15072740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.941

Distribution Coefficient, logD

2.894

Water Solubility, LogSw

-2.63

Polar Surface Area

33.015

Acid Dissociation Constant (pKa)

25.23

Base Dissociation Constant (pKb)

6.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

G886-0074 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Immunological Library (6760 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G886-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G886-0074?
Check Price and Availability of G886-0074, 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 G886-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G886-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G886-0074
  • 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 G886-0074 available by request