C547-0731 Screening compound: 4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-(3,4,5-trimethoxyphenyl)butanamide

C547-0731 Screening compound: 4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-(3,4,5-trimethoxyphenyl)butanamide
C547-0731 Screening compound: 4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-(3,4,5-trimethoxyphenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C547-0731
4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-(3,4,5-trimethoxyphenyl)butanamide

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

C547-0731

Molecular Formula

C23H26N2O6 (C23 H26 N2 O6)

Compound Name

4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]-N-(3,4,5-trimethoxyphenyl)butanamide

IUPAC name

4-[(1-methyl-2-oxo-12-dihydroquinolin-4-yl)oxy]-N-(345-trimethoxyphenyl)butanamide

SMILES

CN(c(cccc1)c1C(OCCCC(Nc(cc1OC)cc(OC)c1OC)=O)=C1)C1=O

InChI

InChI=1S/C23H26N2O6/c1-25-17-9-6-5-8-16(17)18(14-22(25)27)31-11-7-10-21(26)24-15-12-19(28-2)23(30-4)20(13-15)29-3/h5-6,8-9,12-14H,7,10-11H2,1-4H3,(H,24,26)

InChI Key

RJMGSUDISLUMSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.805

Distribution Coefficient, logD

1.804

Water Solubility, LogSw

-2.72

Polar Surface Area

68.620

Acid Dissociation Constant (pKa)

10.24

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C547-0731 in Drug Discovery

Included in Screening Libraries

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C547-0731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C547-0731?
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What is the minimum amount of C547-0731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C547-0731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C547-0731
  • 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 C547-0731 available by request