C647-1066 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[6-chloro-3-(4-ethylbenzoyl)-4-oxo-1,4-dihydroquinolin-1-yl]acetamide

C647-1066 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[6-chloro-3-(4-ethylbenzoyl)-4-oxo-1,4-dihydroquinolin-1-yl]acetamide
C647-1066 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[6-chloro-3-(4-ethylbenzoyl)-4-oxo-1,4-dihydroquinolin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C647-1066
N-(2H-1,3-benzodioxol-5-yl)-2-[6-chloro-3-(4-ethylbenzoyl)-4-oxo-1,4-dihydroquinolin-1-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

C647-1066

Molecular Formula

C27H21ClN2O5 (C27 H21 ClN2 O5)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-[6-chloro-3-(4-ethylbenzoyl)-4-oxo-1,4-dihydroquinolin-1-yl]acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-[6-chloro-3-(4-ethylbenzoyl)-4-oxo-14-dihydroquinolin-1-yl]acetamide

SMILES

CCc(cc1)ccc1C(C1=CN(CC(Nc(cc2)cc3c2OCO3)=O)c(ccc(Cl)c2)c2C1=O)=O

InChI

InChI=1S/C27H21ClN2O5/c1-2-16-3-5-17(6-4-16)26(32)21-13-30(22-9-7-18(28)11-20(22)27(21)33)14-25(31)29-19-8-10-23-24(12-19)35-15-34-23/h3-13H,2,14-15H2,1H3,(H,29,31)

InChI Key

DUPPVLSNXJKNQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06744661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.271

Distribution Coefficient, logD

5.270

Water Solubility, LogSw

-5.70

Polar Surface Area

69.294

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

C647-1066 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Human Kinases Annotated Library (2415 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
Therapeutical areas:
  • Cancer
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C647-1066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C647-1066?
Check Price and Availability of C647-1066, 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 C647-1066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C647-1066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C647-1066
  • 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 C647-1066 available by request