C547-0105 Screening compound: N-{3-[benzyl(methyl)amino]propyl}-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide

C547-0105 Screening compound: N-{3-[benzyl(methyl)amino]propyl}-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide
C547-0105 Screening compound: N-{3-[benzyl(methyl)amino]propyl}-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C547-0105
N-{3-[benzyl(methyl)amino]propyl}-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

C547-0105

Molecular Formula

C23H27N3O3 (C23 H27 N3 O3)

Compound Name

N-{3-[benzyl(methyl)amino]propyl}-2-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide

IUPAC name

N-{3-[benzyl(methyl)amino]propyl}-2-[(1-methyl-2-oxo-12-dihydroquinolin-4-yl)oxy]acetamide

SMILES

CN(CCCNC(COC(c(cccc1)c1N1C)=CC1=O)=O)Cc1ccccc1

InChI

InChI=1S/C23H27N3O3/c1-25(16-18-9-4-3-5-10-18)14-8-13-24-22(27)17-29-21-15-23(28)26(2)20-12-7-6-11-19(20)21/h3-7,9-12,15H,8,13-14,16-17H2,1-2H3,(H,24,27)

InChI Key

AEQBFIBXQROZBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.666

Distribution Coefficient, logD

0.169

Water Solubility, LogSw

-2.61

Polar Surface Area

50.981

Acid Dissociation Constant (pKa)

15.91

Base Dissociation Constant (pKb)

8.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C547-0105 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C547-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C547-0105?
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What is the minimum amount of C547-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C547-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C547-0105
  • 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 C547-0105 available by request