8018-1761 Screening compound: 1-(2-aminoquinolin-3-yl)-2,2-dimethylpropan-1-one

8018-1761 Screening compound: 1-(2-aminoquinolin-3-yl)-2,2-dimethylpropan-1-one
8018-1761 Screening compound: 1-(2-aminoquinolin-3-yl)-2,2-dimethylpropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1761
1-(2-aminoquinolin-3-yl)-2,2-dimethylpropan-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

8018-1761

Molecular Formula

C14H16N2O (C14 H16 N2 O)

Compound Name

1-(2-aminoquinolin-3-yl)-2,2-dimethylpropan-1-one

IUPAC name

1-(2-aminoquinolin-3-yl)-22-dimethylpropan-1-one

SMILES

CC(C)(C)C(c1cc2ccccc2nc1N)=O

InChI

InChI=1S/C14H16N2O/c1-14(2,3)12(17)10-8-9-6-4-5-7-11(9)16-13(10)15/h4-8H,1-3H3,(H2,15,16)

InChI Key

LXXKGZMUHZNSDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06809680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

228.29

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.129

Distribution Coefficient, logD

3.129

Water Solubility, LogSw

-3.55

Polar Surface Area

43.004

Acid Dissociation Constant (pKa)

17.74

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

8018-1761 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

GABA Library (7115 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 8018-1761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1761?
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What is the minimum amount of 8018-1761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1761
  • 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 8018-1761 available by request