C682-0294 Screening compound: 6,7-dimethoxy-1-[(4-methylphenyl)methyl]-3-[4-(propan-2-yl)benzenesulfonyl]-1,4-dihydroquinolin-4-one

C682-0294 Screening compound: 6,7-dimethoxy-1-[(4-methylphenyl)methyl]-3-[4-(propan-2-yl)benzenesulfonyl]-1,4-dihydroquinolin-4-one
C682-0294 Screening compound: 6,7-dimethoxy-1-[(4-methylphenyl)methyl]-3-[4-(propan-2-yl)benzenesulfonyl]-1,4-dihydroquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C682-0294
6,7-dimethoxy-1-[(4-methylphenyl)methyl]-3-[4-(propan-2-yl)benzenesulfonyl]-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

C682-0294

Molecular Formula

C28H29NO5S (C28 H29 NO5 S)

Compound Name

6,7-dimethoxy-1-[(4-methylphenyl)methyl]-3-[4-(propan-2-yl)benzenesulfonyl]-1,4-dihydroquinolin-4-one

IUPAC name

67-dimethoxy-1-[(4-methylphenyl)methyl]-3-[4-(propan-2-yl)benzenesulfonyl]-14-dihydroquinolin-4-one

SMILES

CC(C)c(cc1)ccc1S(C1=CN(Cc2ccc(C)cc2)c(cc(c(OC)c2)OC)c2C1=O)(=O)=O

InChI

InChI=1S/C28H29NO5S/c1-18(2)21-10-12-22(13-11-21)35(31,32)27-17-29(16-20-8-6-19(3)7-9-20)24-15-26(34-5)25(33-4)14-23(24)28(27)30/h6-15,17-18H,16H2,1-5H3

InChI Key

BPEKNLFKELJMOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.412

Distribution Coefficient, logD

5.412

Water Solubility, LogSw

-5.46

Polar Surface Area

60.324

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

-6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C682-0294 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C682-0294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C682-0294?
Check Price and Availability of C682-0294, 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 C682-0294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C682-0294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C682-0294
  • 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 C682-0294 available by request