2729-0955 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide

2729-0955 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
2729-0955 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2729-0955
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide

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

2729-0955

Molecular Formula

C27H26N2O4 (C27 H26 N2 O4)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide

SMILES

COc(cc1)ccc1-c1nc2ccccc2c(C(NCCc(cc2)cc(OC)c2OC)=O)c1

InChI

InChI=1S/C27H26N2O4/c1-31-20-11-9-19(10-12-20)24-17-22(21-6-4-5-7-23(21)29-24)27(30)28-15-14-18-8-13-25(32-2)26(16-18)33-3/h4-13,16-17H,14-15H2,1-3H3,(H,28,30)

InChI Key

RXVKSEMDKPDNGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00687559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.952

Distribution Coefficient, logD

4.952

Water Solubility, LogSw

-4.73

Polar Surface Area

55.357

Acid Dissociation Constant (pKa)

14.77

Base Dissociation Constant (pKb)

3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

2729-0955 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

GPCR Targeted Library (31838 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
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 2729-0955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2729-0955?
Check Price and Availability of 2729-0955, 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 2729-0955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2729-0955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2729-0955
  • 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 2729-0955 available by request