C567-0068 Screening compound: 6-BENZYL-8-(4-FLUOROBENZOYL)-2H,3H,6H,9H-[1,4]DIOXINO[2,3-G]QUINOLIN-9-ONE

C567-0068 Screening compound: 6-BENZYL-8-(4-FLUOROBENZOYL)-2H,3H,6H,9H-[1,4]DIOXINO[2,3-G]QUINOLIN-9-ONE
C567-0068 Screening compound: 6-BENZYL-8-(4-FLUOROBENZOYL)-2H,3H,6H,9H-[1,4]DIOXINO[2,3-G]QUINOLIN-9-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound C567-0068
6-BENZYL-8-(4-FLUOROBENZOYL)-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

C567-0068

Molecular Formula

C25H18FNO4 (C25 H18 FNO4)

Compound Name

6-BENZYL-8-(4-FLUOROBENZOYL)-2H,3H,6H,9H-[1,4]DIOXINO[2,3-G]QUINOLIN-9-ONE

IUPAC name

6-benzyl-8-(4-fluorobenzoyl)-2H3H6H9H-[14]dioxino[23-g]quinolin-9-one

SMILES

O=C(c(cc1)ccc1F)C1=CN(Cc2ccccc2)c(cc2OCCOc2c2)c2C1=O

InChI

InChI=1S/C25H18FNO4/c26-18-8-6-17(7-9-18)24(28)20-15-27(14-16-4-2-1-3-5-16)21-13-23-22(30-10-11-31-23)12-19(21)25(20)29/h1-9,12-13,15H,10-11,14H2

InChI Key

ZYDKFETTZARCTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14772511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.42

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

3.269

Distribution Coefficient, logD

3.269

Water Solubility, LogSw

-3.69

Polar Surface Area

44.853

Acid Dissociation Constant (pKa)

29.88

Base Dissociation Constant (pKb)

-4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C567-0068 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C567-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C567-0068?
Check Price and Availability of C567-0068, 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 C567-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C567-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C567-0068
  • 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 C567-0068 available by request