C547-0127 Screening compound: 2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-(2-methylphenyl)-N-propylacetamide

C547-0127 Screening compound: 2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-(2-methylphenyl)-N-propylacetamide
C547-0127 Screening compound: 2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-(2-methylphenyl)-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C547-0127
2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-(2-methylphenyl)-N-propylacetamide

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

C547-0127

Molecular Formula

C22H24N2O3 (C22 H24 N2 O3)

Compound Name

2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-(2-methylphenyl)-N-propylacetamide

IUPAC name

2-[(1-methyl-2-oxo-12-dihydroquinolin-4-yl)oxy]-N-(2-methylphenyl)-N-propylacetamide

SMILES

CCCN(C(COC(c(cccc1)c1N1C)=CC1=O)=O)c1c(C)cccc1

InChI

InChI=1S/C22H24N2O3/c1-4-13-24(18-11-7-5-9-16(18)2)22(26)15-27-20-14-21(25)23(3)19-12-8-6-10-17(19)20/h5-12,14H,4,13,15H2,1-3H3

InChI Key

RIAUVRPYGQACQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.422

Distribution Coefficient, logD

3.422

Water Solubility, LogSw

-3.81

Polar Surface Area

37.619

Acid Dissociation Constant (pKa)

25.98

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C547-0127 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with C547-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C547-0127?
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What is the minimum amount of C547-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C547-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C547-0127
  • 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 C547-0127 available by request