C567-0807 Screening compound: 7-benzoyl-5-[(3-methoxyphenyl)methyl]-2H,5H,8H-[1,3]dioxolo[4,5-g]quinolin-8-one

C567-0807 Screening compound: 7-benzoyl-5-[(3-methoxyphenyl)methyl]-2H,5H,8H-[1,3]dioxolo[4,5-g]quinolin-8-one
C567-0807 Screening compound: 7-benzoyl-5-[(3-methoxyphenyl)methyl]-2H,5H,8H-[1,3]dioxolo[4,5-g]quinolin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C567-0807
7-benzoyl-5-[(3-methoxyphenyl)methyl]-2H,5H,8H-[1,3]dioxolo[4,5-g]quinolin-8-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

C567-0807

Molecular Formula

C25H19NO5 (C25 H19 NO5)

Compound Name

7-benzoyl-5-[(3-methoxyphenyl)methyl]-2H,5H,8H-[1,3]dioxolo[4,5-g]quinolin-8-one

IUPAC name

7-benzoyl-5-[(3-methoxyphenyl)methyl]-2H5H8H-[13]dioxolo[45-g]quinolin-8-one

SMILES

COc1cccc(CN(C=C2C(c3ccccc3)=O)c(cc3OCOc3c3)c3C2=O)c1

InChI

InChI=1S/C25H19NO5/c1-29-18-9-5-6-16(10-18)13-26-14-20(24(27)17-7-3-2-4-8-17)25(28)19-11-22-23(12-21(19)26)31-15-30-22/h2-12,14H,13,15H2,1H3

InChI Key

WLDHWPHXDKEWPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14772669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.265

Distribution Coefficient, logD

4.265

Water Solubility, LogSw

-4.50

Polar Surface Area

53.689

Acid Dissociation Constant (pKa)

29.88

Base Dissociation Constant (pKb)

-3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C567-0807 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C567-0807 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C567-0807?
Check Price and Availability of C567-0807, 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 C567-0807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C567-0807
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C567-0807
  • 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 C567-0807 available by request