C547-0012 Screening compound: N-cyclohexyl-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide

C547-0012 Screening compound: N-cyclohexyl-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide
C547-0012 Screening compound: N-cyclohexyl-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C547-0012
N-cyclohexyl-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide

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

C547-0012

Molecular Formula

C18H22N2O3 (C18 H22 N2 O3)

Compound Name

N-cyclohexyl-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide

IUPAC name

N-cyclohexyl-2-[(1-methyl-2-oxo-12-dihydroquinolin-4-yl)oxy]acetamide

SMILES

CN(c(cccc1)c1C(OCC(NC1CCCCC1)=O)=C1)C1=O

InChI

InChI=1S/C18H22N2O3/c1-20-15-10-6-5-9-14(15)16(11-18(20)22)23-12-17(21)19-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8,12H2,1H3,(H,19,21)

InChI Key

NSTLGZQAOOTSFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.261

Distribution Coefficient, logD

2.261

Water Solubility, LogSw

-2.87

Polar Surface Area

46.771

Acid Dissociation Constant (pKa)

15.88

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

C547-0012 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C547-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C547-0012?
Check Price and Availability of C547-0012, 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 C547-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C547-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C547-0012
  • 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 C547-0012 available by request