C647-0043 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[3-(4-ethylbenzoyl)-6-fluoro-4-oxo-1,4-dihydroquinolin-1-yl]acetamide

C647-0043 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[3-(4-ethylbenzoyl)-6-fluoro-4-oxo-1,4-dihydroquinolin-1-yl]acetamide
C647-0043 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[3-(4-ethylbenzoyl)-6-fluoro-4-oxo-1,4-dihydroquinolin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C647-0043
N-(2H-1,3-benzodioxol-5-yl)-2-[3-(4-ethylbenzoyl)-6-fluoro-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

C647-0043

Molecular Formula

C27H21FN2O5 (C27 H21 FN2 O5)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C27H21FN2O5/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

RLXNMYNEGMUPOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05899842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.47

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

4.815

Distribution Coefficient, logD

4.815

Water Solubility, LogSw

-4.54

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

C647-0043 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C647-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C647-0043?
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What is the minimum amount of C647-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C647-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C647-0043
  • 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 C647-0043 available by request