C567-0852 Screening compound: 3-(4-ethoxybenzoyl)-1-[(3-methoxyphenyl)methyl]-6-methyl-1,4-dihydroquinolin-4-one

C567-0852 Screening compound: 3-(4-ethoxybenzoyl)-1-[(3-methoxyphenyl)methyl]-6-methyl-1,4-dihydroquinolin-4-one
C567-0852 Screening compound: 3-(4-ethoxybenzoyl)-1-[(3-methoxyphenyl)methyl]-6-methyl-1,4-dihydroquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C567-0852
3-(4-ethoxybenzoyl)-1-[(3-methoxyphenyl)methyl]-6-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

C567-0852

Molecular Formula

C27H25NO4 (C27 H25 NO4)

Compound Name

3-(4-ethoxybenzoyl)-1-[(3-methoxyphenyl)methyl]-6-methyl-1,4-dihydroquinolin-4-one

IUPAC name

3-(4-ethoxybenzoyl)-1-[(3-methoxyphenyl)methyl]-6-methyl-14-dihydroquinolin-4-one

SMILES

CCOc(cc1)ccc1C(C1=CN(Cc2cc(OC)ccc2)c(ccc(C)c2)c2C1=O)=O

InChI

InChI=1S/C27H25NO4/c1-4-32-21-11-9-20(10-12-21)26(29)24-17-28(16-19-6-5-7-22(15-19)31-3)25-13-8-18(2)14-23(25)27(24)30/h5-15,17H,4,16H2,1-3H3

InChI Key

HFIWVDYBOVMPDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14772684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.894

Distribution Coefficient, logD

4.894

Water Solubility, LogSw

-4.57

Polar Surface Area

43.697

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C567-0852 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C567-0852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C567-0852?
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What is the minimum amount of C567-0852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C567-0852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C567-0852
  • 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 C567-0852 available by request