C547-0158 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide

C547-0158 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide
C547-0158 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C547-0158
N-[2-(3,4-diethoxyphenyl)ethyl]-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

C547-0158

Molecular Formula

C24H28N2O5 (C24 H28 N2 O5)

Compound Name

N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-2-[(1-methyl-2-oxo-12-dihydroquinolin-4-yl)oxy]acetamide

SMILES

CCOc(ccc(CCNC(COC(c(cccc1)c1N1C)=CC1=O)=O)c1)c1OCC

InChI

InChI=1S/C24H28N2O5/c1-4-29-20-11-10-17(14-22(20)30-5-2)12-13-25-23(27)16-31-21-15-24(28)26(3)19-9-7-6-8-18(19)21/h6-11,14-15H,4-5,12-13,16H2,1-3H3,(H,25,27)

InChI Key

UIMOJSXUGXCZIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.717

Distribution Coefficient, logD

1.717

Water Solubility, LogSw

-2.68

Polar Surface Area

61.308

Acid Dissociation Constant (pKa)

14.78

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C547-0158 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 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

References: we are preparing a list of scientific research reports with C547-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C547-0158?
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What is the minimum amount of C547-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C547-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C547-0158
  • 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 C547-0158 available by request