C547-0921 Screening compound: N-{2-[butyl(methyl)amino]ethyl}-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide

C547-0921 Screening compound: N-{2-[butyl(methyl)amino]ethyl}-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide
C547-0921 Screening compound: N-{2-[butyl(methyl)amino]ethyl}-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C547-0921
N-{2-[butyl(methyl)amino]ethyl}-4-[(1-methyl-2-oxo-1,2-dihydroquinolin-4-yl)oxy]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

C547-0921

Molecular Formula

C21H31N3O3 (C21 H31 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(C)CCNC(CCCOC(c(cccc1)c1N1C)=CC1=O)=O

InChI

InChI=1S/C21H31N3O3/c1-4-5-13-23(2)14-12-22-20(25)11-8-15-27-19-16-21(26)24(3)18-10-7-6-9-17(18)19/h6-7,9-10,16H,4-5,8,11-15H2,1-3H3,(H,22,25)

InChI Key

HAYUBUAOWPIIFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.473

Distribution Coefficient, logD

-0.195

Water Solubility, LogSw

-2.48

Polar Surface Area

51.150

Acid Dissociation Constant (pKa)

13.80

Base Dissociation Constant (pKb)

9.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

C547-0921 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with C547-0921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C547-0921?
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What is the minimum amount of C547-0921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C547-0921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C547-0921
  • 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 C547-0921 available by request