C655-0147 Screening compound: 2-[6-ethoxy-3-(4-methylbenzenesulfonyl)-4-oxo-1,4-dihydroquinolin-1-yl]-N-(4-methylphenyl)acetamide

C655-0147 Screening compound: 2-[6-ethoxy-3-(4-methylbenzenesulfonyl)-4-oxo-1,4-dihydroquinolin-1-yl]-N-(4-methylphenyl)acetamide
C655-0147 Screening compound: 2-[6-ethoxy-3-(4-methylbenzenesulfonyl)-4-oxo-1,4-dihydroquinolin-1-yl]-N-(4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C655-0147
2-[6-ethoxy-3-(4-methylbenzenesulfonyl)-4-oxo-1,4-dihydroquinolin-1-yl]-N-(4-methylphenyl)acetamide

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

C655-0147

Molecular Formula

C27H26N2O5S (C27 H26 N2 O5 S)

Compound Name

2-[6-ethoxy-3-(4-methylbenzenesulfonyl)-4-oxo-1,4-dihydroquinolin-1-yl]-N-(4-methylphenyl)acetamide

IUPAC name

2-[6-ethoxy-3-(4-methylbenzenesulfonyl)-4-oxo-14-dihydroquinolin-1-yl]-N-(4-methylphenyl)acetamide

SMILES

CCOc(cc1)cc(C2=O)c1N(CC(Nc1ccc(C)cc1)=O)C=C2S(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C27H26N2O5S/c1-4-34-21-11-14-24-23(15-21)27(31)25(35(32,33)22-12-7-19(3)8-13-22)16-29(24)17-26(30)28-20-9-5-18(2)6-10-20/h5-16H,4,17H2,1-3H3,(H,28,30)

InChI Key

PLASISVPARCOEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14779713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.824

Distribution Coefficient, logD

4.824

Water Solubility, LogSw

-4.57

Polar Surface Area

75.336

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C655-0147 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C655-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C655-0147?
Check Price and Availability of C655-0147, 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 C655-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C655-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C655-0147
  • 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 C655-0147 available by request