7706-0548 Screening compound: 2-methyl-3-[(piperidin-1-yl)methyl]-1,4-dihydroquinolin-4-one

7706-0548 Screening compound: 2-methyl-3-[(piperidin-1-yl)methyl]-1,4-dihydroquinolin-4-one
7706-0548 Screening compound: 2-methyl-3-[(piperidin-1-yl)methyl]-1,4-dihydroquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7706-0548
2-methyl-3-[(piperidin-1-yl)methyl]-1,4-dihydroquinolin-4-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

7706-0548

Molecular Formula

C16H20N2O (C16 H20 N2 O)

Compound Name

2-methyl-3-[(piperidin-1-yl)methyl]-1,4-dihydroquinolin-4-one

IUPAC name

2-methyl-3-[(piperidin-1-yl)methyl]-14-dihydroquinolin-4-one

SMILES

CC(Nc1c2cccc1)=C(CN1CCCCC1)C2=O

InChI

InChI=1S/C16H20N2O/c1-12-14(11-18-9-5-2-6-10-18)16(19)13-7-3-4-8-15(13)17-12/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,17,19)

InChI Key

XHTAAEZHPPFTSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02056911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.792

Distribution Coefficient, logD

2.669

Water Solubility, LogSw

-3.51

Polar Surface Area

27.853

Acid Dissociation Constant (pKa)

9.75

Base Dissociation Constant (pKb)

6.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

7706-0548 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

CNS BBB Library (22607 compounds)

Fragments Library (11262 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Nervous system
  • Cardiovascular
Structure:
  • Fragments
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 7706-0548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7706-0548?
Check Price and Availability of 7706-0548, 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 7706-0548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7706-0548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7706-0548
  • 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 7706-0548 available by request