C547-0874 Screening compound: 1-methyl-4-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butoxy)-1,2-dihydroquinolin-2-one

C547-0874 Screening compound: 1-methyl-4-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butoxy)-1,2-dihydroquinolin-2-one
C547-0874 Screening compound: 1-methyl-4-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butoxy)-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C547-0874
1-methyl-4-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butoxy)-1,2-dihydroquinolin-2-one

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

C547-0874

Molecular Formula

C25H26F3N3O3 (C25 H26 F3 N3 O3)

Compound Name

1-methyl-4-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butoxy)-1,2-dihydroquinolin-2-one

IUPAC name

1-methyl-4-(4-oxo-4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}butoxy)-12-dihydroquinolin-2-one

SMILES

CN(c(cccc1)c1C(OCCCC(N(CC1)CCN1c1cccc(C(F)(F)F)c1)=O)=C1)C1=O

InChI

InChI=1S/C25H26F3N3O3/c1-29-21-9-3-2-8-20(21)22(17-24(29)33)34-15-5-10-23(32)31-13-11-30(12-14-31)19-7-4-6-18(16-19)25(26,27)28/h2-4,6-9,16-17H,5,10-15H2,1H3

InChI Key

WKAMTLPLFMVOKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.266

Distribution Coefficient, logD

3.266

Water Solubility, LogSw

-3.82

Polar Surface Area

42.146

Acid Dissociation Constant (pKa)

24.45

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with C547-0874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C547-0874?
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What is the minimum amount of C547-0874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C547-0874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C547-0874
  • 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 C547-0874 available by request