C647-0057 Screening compound: 2-(3-benzoyl-6,7-dimethoxy-4-oxo-1,4-dihydroquinolin-1-yl)-N-(2H-1,3-benzodioxol-5-yl)acetamide

C647-0057 Screening compound: 2-(3-benzoyl-6,7-dimethoxy-4-oxo-1,4-dihydroquinolin-1-yl)-N-(2H-1,3-benzodioxol-5-yl)acetamide
C647-0057 Screening compound: 2-(3-benzoyl-6,7-dimethoxy-4-oxo-1,4-dihydroquinolin-1-yl)-N-(2H-1,3-benzodioxol-5-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C647-0057
2-(3-benzoyl-6,7-dimethoxy-4-oxo-1,4-dihydroquinolin-1-yl)-N-(2H-1,3-benzodioxol-5-yl)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

C647-0057

Molecular Formula

C27H22N2O7 (C27 H22 N2 O7)

Compound Name

2-(3-benzoyl-6,7-dimethoxy-4-oxo-1,4-dihydroquinolin-1-yl)-N-(2H-1,3-benzodioxol-5-yl)acetamide

IUPAC name

2-(3-benzoyl-67-dimethoxy-4-oxo-14-dihydroquinolin-1-yl)-N-(2H-13-benzodioxol-5-yl)acetamide

SMILES

COc(c(OC)c1)cc2c1N(CC(Nc(cc1)cc3c1OCO3)=O)C=C(C(c1ccccc1)=O)C2=O

InChI

InChI=1S/C27H22N2O7/c1-33-22-11-18-20(12-23(22)34-2)29(13-19(27(18)32)26(31)16-6-4-3-5-7-16)14-25(30)28-17-8-9-21-24(10-17)36-15-35-21/h3-13H,14-15H2,1-2H3,(H,28,30)

InChI Key

IMMJQIBDZKNLCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05899843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.494

Distribution Coefficient, logD

3.494

Water Solubility, LogSw

-3.92

Polar Surface Area

84.555

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

C647-0057 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 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 C647-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C647-0057?
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What is the minimum amount of C647-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C647-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C647-0057
  • 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 C647-0057 available by request