C547-0686 Screening compound: N-{2-[butyl(methyl)amino]ethyl}-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide

C547-0686 Screening compound: N-{2-[butyl(methyl)amino]ethyl}-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide
C547-0686 Screening compound: N-{2-[butyl(methyl)amino]ethyl}-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C547-0686
N-{2-[butyl(methyl)amino]ethyl}-2-[(1-ethyl-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

C547-0686

Molecular Formula

C20H29N3O3 (C20 H29 N3 O3)

Compound Name

N-{2-[butyl(methyl)amino]ethyl}-2-[(1-ethyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]acetamide

IUPAC name

N-{2-[butyl(methyl)amino]ethyl}-2-[(1-ethyl-2-oxo-12-dihydroquinolin-4-yl)oxy]acetamide

SMILES

CCCCN(C)CCNC(COC(c(cccc1)c1N1CC)=CC1=O)=O

InChI

InChI=1S/C20H29N3O3/c1-4-6-12-22(3)13-11-21-19(24)15-26-18-14-20(25)23(5-2)17-10-8-7-9-16(17)18/h7-10,14H,4-6,11-13,15H2,1-3H3,(H,21,24)

InChI Key

DXEHEZNIWRLAKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.707

Distribution Coefficient, logD

0.005

Water Solubility, LogSw

-2.64

Polar Surface Area

51.190

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

9.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

C547-0686 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C547-0686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C547-0686?
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What is the minimum amount of C547-0686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C547-0686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C547-0686
  • 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 C547-0686 available by request