C567-0438 Screening compound: 8-(3,4-dimethylbenzoyl)-6-[(4-methylphenyl)methyl]-2H,3H,6H,9H-[1,4]dioxino[2,3-g]quinolin-9-one

C567-0438 Screening compound: 8-(3,4-dimethylbenzoyl)-6-[(4-methylphenyl)methyl]-2H,3H,6H,9H-[1,4]dioxino[2,3-g]quinolin-9-one
C567-0438 Screening compound: 8-(3,4-dimethylbenzoyl)-6-[(4-methylphenyl)methyl]-2H,3H,6H,9H-[1,4]dioxino[2,3-g]quinolin-9-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C567-0438
8-(3,4-dimethylbenzoyl)-6-[(4-methylphenyl)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

C567-0438

Molecular Formula

C28H25NO4 (C28 H25 NO4)

Compound Name

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

IUPAC name

8-(34-dimethylbenzoyl)-6-[(4-methylphenyl)methyl]-2H3H6H9H-[14]dioxino[23-g]quinolin-9-one

SMILES

Cc1ccc(CN(C=C2C(c3cc(C)c(C)cc3)=O)c(cc3OCCOc3c3)c3C2=O)cc1

InChI

InChI=1S/C28H25NO4/c1-17-4-7-20(8-5-17)15-29-16-23(27(30)21-9-6-18(2)19(3)12-21)28(31)22-13-25-26(14-24(22)29)33-11-10-32-25/h4-9,12-14,16H,10-11,15H2,1-3H3

InChI Key

ODLSSXLBUIYPKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14772587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.51

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

4.702

Distribution Coefficient, logD

4.702

Water Solubility, LogSw

-4.45

Polar Surface Area

44.853

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

-3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C567-0438 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Protein-Protein Interaction Library (218420 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 C567-0438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C567-0438?
Check Price and Availability of C567-0438, 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 C567-0438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C567-0438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C567-0438
  • 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 C567-0438 available by request