C547-0557 Screening compound: 4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethoxy)-1-ethyl-1,2-dihydroquinolin-2-one

C547-0557 Screening compound: 4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethoxy)-1-ethyl-1,2-dihydroquinolin-2-one
C547-0557 Screening compound: 4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethoxy)-1-ethyl-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C547-0557
4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethoxy)-1-ethyl-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

C547-0557

Molecular Formula

C25H27N3O5 (C25 H27 N3 O5)

Compound Name

4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethoxy)-1-ethyl-1,2-dihydroquinolin-2-one

IUPAC name

4-(2-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethoxy)-1-ethyl-12-dihydroquinolin-2-one

SMILES

CCN(c(cccc1)c1C(OCC(N1CCN(Cc(cc2)cc3c2OCO3)CC1)=O)=C1)C1=O

InChI

InChI=1S/C25H27N3O5/c1-2-28-20-6-4-3-5-19(20)22(14-24(28)29)31-16-25(30)27-11-9-26(10-12-27)15-18-7-8-21-23(13-18)33-17-32-21/h3-8,13-14H,2,9-12,15-17H2,1H3

InChI Key

IRKBIFDESWYXBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.850

Distribution Coefficient, logD

1.550

Water Solubility, LogSw

-2.63

Polar Surface Area

59.582

Acid Dissociation Constant (pKa)

27.55

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C547-0557 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C547-0557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C547-0557?
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What is the minimum amount of C547-0557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C547-0557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C547-0557
  • 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 C547-0557 available by request