C647-0618 Screening compound: 2-(3-benzoyl-4-oxo-1,4-dihydroquinolin-1-yl)-N-(2-methylphenyl)acetamide

C647-0618 Screening compound: 2-(3-benzoyl-4-oxo-1,4-dihydroquinolin-1-yl)-N-(2-methylphenyl)acetamide
C647-0618 Screening compound: 2-(3-benzoyl-4-oxo-1,4-dihydroquinolin-1-yl)-N-(2-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C647-0618
2-(3-benzoyl-4-oxo-1,4-dihydroquinolin-1-yl)-N-(2-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

C647-0618

Molecular Formula

C25H20N2O3 (C25 H20 N2 O3)

Compound Name

2-(3-benzoyl-4-oxo-1,4-dihydroquinolin-1-yl)-N-(2-methylphenyl)acetamide

IUPAC name

2-(3-benzoyl-4-oxo-14-dihydroquinolin-1-yl)-N-(2-methylphenyl)acetamide

SMILES

Cc(cccc1)c1NC(CN(C=C1C(c2ccccc2)=O)c(cccc2)c2C1=O)=O

InChI

InChI=1S/C25H20N2O3/c1-17-9-5-7-13-21(17)26-23(28)16-27-15-20(24(29)18-10-3-2-4-11-18)25(30)19-12-6-8-14-22(19)27/h2-15H,16H2,1H3,(H,26,28)

InChI Key

XLMSJLWQJJVGLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06744363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.566

Distribution Coefficient, logD

3.566

Water Solubility, LogSw

-3.90

Polar Surface Area

51.481

Acid Dissociation Constant (pKa)

12.48

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

C647-0618 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C647-0618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C647-0618?
Check Price and Availability of C647-0618, 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 C647-0618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C647-0618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C647-0618
  • 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 C647-0618 available by request