C547-0645 Screening compound: 4-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy}-1-ethyl-1,2-dihydroquinolin-2-one

C547-0645 Screening compound: 4-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy}-1-ethyl-1,2-dihydroquinolin-2-one
C547-0645 Screening compound: 4-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy}-1-ethyl-1,2-dihydroquinolin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C547-0645
4-{2-[4-(2,3-dimethylphenyl)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

C547-0645

Molecular Formula

C25H29N3O3 (C25 H29 N3 O3)

Compound Name

4-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy}-1-ethyl-1,2-dihydroquinolin-2-one

IUPAC name

4-{2-[4-(23-dimethylphenyl)piperazin-1-yl]-2-oxoethoxy}-1-ethyl-12-dihydroquinolin-2-one

SMILES

CCN(c(cccc1)c1C(OCC(N(CC1)CCN1c1c(C)c(C)ccc1)=O)=C1)C1=O

InChI

InChI=1S/C25H29N3O3/c1-4-28-22-10-6-5-9-20(22)23(16-24(28)29)31-17-25(30)27-14-12-26(13-15-27)21-11-7-8-18(2)19(21)3/h5-11,16H,4,12-15,17H2,1-3H3

InChI Key

SANCMWPMGAPPPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14769098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.421

Distribution Coefficient, logD

3.421

Water Solubility, LogSw

-3.73

Polar Surface Area

41.885

Acid Dissociation Constant (pKa)

27.55

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C547-0645 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C547-0645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C547-0645?
Check Price and Availability of C547-0645, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C547-0645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C547-0645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C547-0645
  • 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 C547-0645 available by request