C655-0249 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[6-fluoro-3-(4-methylbenzenesulfonyl)-4-oxo-1,4-dihydroquinolin-1-yl]acetamide

C655-0249 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[6-fluoro-3-(4-methylbenzenesulfonyl)-4-oxo-1,4-dihydroquinolin-1-yl]acetamide
C655-0249 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-[6-fluoro-3-(4-methylbenzenesulfonyl)-4-oxo-1,4-dihydroquinolin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C655-0249
N-(2H-1,3-benzodioxol-5-yl)-2-[6-fluoro-3-(4-methylbenzenesulfonyl)-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

C655-0249

Molecular Formula

C25H19FN2O6S (C25 H19 FN2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1S(C1=CN(CC(Nc(cc2)cc3c2OCO3)=O)c(ccc(F)c2)c2C1=O)(=O)=O

InChI

InChI=1S/C25H19FN2O6S/c1-15-2-6-18(7-3-15)35(31,32)23-12-28(20-8-4-16(26)10-19(20)25(23)30)13-24(29)27-17-5-9-21-22(11-17)34-14-33-21/h2-12H,13-14H2,1H3,(H,27,29)

InChI Key

PAPWCLSLNRENCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14779757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.956

Distribution Coefficient, logD

3.956

Water Solubility, LogSw

-4.06

Polar Surface Area

85.328

Acid Dissociation Constant (pKa)

11.32

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C655-0249 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 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 C655-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C655-0249?
Check Price and Availability of C655-0249, 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 C655-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C655-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C655-0249
  • 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 C655-0249 available by request