C567-0581 Screening compound: 3-(2H-1,3-benzodioxole-5-carbonyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydroquinolin-4-one

C567-0581 Screening compound: 3-(2H-1,3-benzodioxole-5-carbonyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydroquinolin-4-one
C567-0581 Screening compound: 3-(2H-1,3-benzodioxole-5-carbonyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydroquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C567-0581
3-(2H-1,3-benzodioxole-5-carbonyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydroquinolin-4-one

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

C567-0581

Molecular Formula

C24H16FNO4 (C24 H16 FNO4)

Compound Name

3-(2H-1,3-benzodioxole-5-carbonyl)-1-[(4-fluorophenyl)methyl]-1,4-dihydroquinolin-4-one

IUPAC name

3-(2H-13-benzodioxole-5-carbonyl)-1-[(4-fluorophenyl)methyl]-14-dihydroquinolin-4-one

SMILES

O=C(c(cc1)cc2c1OCO2)C1=CN(Cc(cc2)ccc2F)c(cccc2)c2C1=O

InChI

InChI=1S/C24H16FNO4/c25-17-8-5-15(6-9-17)12-26-13-19(24(28)18-3-1-2-4-20(18)26)23(27)16-7-10-21-22(11-16)30-14-29-21/h1-11,13H,12,14H2

InChI Key

CWCSPPCBOLWWPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14772630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.117

Distribution Coefficient, logD

4.117

Water Solubility, LogSw

-4.45

Polar Surface Area

46.145

Acid Dissociation Constant (pKa)

29.41

Base Dissociation Constant (pKb)

-5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

C567-0581 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein-Protein Interaction Library (218420 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 C567-0581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C567-0581?
Check Price and Availability of C567-0581, 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 C567-0581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C567-0581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C567-0581
  • 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 C567-0581 available by request