C567-0598 Screening compound: 8-(4-chlorobenzoyl)-6-[(4-fluorophenyl)methyl]-2H,3H,6H,9H-[1,4]dioxino[2,3-g]quinolin-9-one

C567-0598 Screening compound: 8-(4-chlorobenzoyl)-6-[(4-fluorophenyl)methyl]-2H,3H,6H,9H-[1,4]dioxino[2,3-g]quinolin-9-one
C567-0598 Screening compound: 8-(4-chlorobenzoyl)-6-[(4-fluorophenyl)methyl]-2H,3H,6H,9H-[1,4]dioxino[2,3-g]quinolin-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C567-0598
8-(4-chlorobenzoyl)-6-[(4-fluorophenyl)methyl]-2H,3H,6H,9H-[1,4]dioxino[2,3-g]quinolin-9-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

C567-0598

Molecular Formula

C25H17ClFNO4 (C25 H17 ClFNO4)

Compound Name

8-(4-chlorobenzoyl)-6-[(4-fluorophenyl)methyl]-2H,3H,6H,9H-[1,4]dioxino[2,3-g]quinolin-9-one

IUPAC name

8-(4-chlorobenzoyl)-6-[(4-fluorophenyl)methyl]-2H3H6H9H-[14]dioxino[23-g]quinolin-9-one

SMILES

O=C(c(cc1)ccc1Cl)C1=CN(Cc(cc2)ccc2F)c(cc2OCCOc2c2)c2C1=O

InChI

InChI=1S/C25H17ClFNO4/c26-17-5-3-16(4-6-17)24(29)20-14-28(13-15-1-7-18(27)8-2-15)21-12-23-22(31-9-10-32-23)11-19(21)25(20)30/h1-8,11-12,14H,9-10,13H2

InChI Key

XRKUIRLLENXKOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14772633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.87

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

3.864

Distribution Coefficient, logD

3.864

Water Solubility, LogSw

-4.47

Polar Surface Area

44.853

Acid Dissociation Constant (pKa)

29.41

Base Dissociation Constant (pKb)

-5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C567-0598 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C567-0598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C567-0598?
Check Price and Availability of C567-0598, 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 C567-0598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C567-0598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C567-0598
  • 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 C567-0598 available by request