C634-0052 Screening compound: 3-(3,4-dimethylbenzenesulfonyl)-6-ethoxy-1,4-dihydroquinolin-4-one

C634-0052 Screening compound: 3-(3,4-dimethylbenzenesulfonyl)-6-ethoxy-1,4-dihydroquinolin-4-one
C634-0052 Screening compound: 3-(3,4-dimethylbenzenesulfonyl)-6-ethoxy-1,4-dihydroquinolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C634-0052
3-(3,4-dimethylbenzenesulfonyl)-6-ethoxy-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

C634-0052

Molecular Formula

C19H19NO4S (C19 H19 NO4 S)

Compound Name

3-(3,4-dimethylbenzenesulfonyl)-6-ethoxy-1,4-dihydroquinolin-4-one

IUPAC name

3-(34-dimethylbenzenesulfonyl)-6-ethoxy-14-dihydroquinolin-4-one

SMILES

CCOc(cc1)cc(C2=O)c1NC=C2S(c1cc(C)c(C)cc1)(=O)=O

InChI

InChI=1S/C19H19NO4S/c1-4-24-14-6-8-17-16(10-14)19(21)18(11-20-17)25(22,23)15-7-5-12(2)13(3)9-15/h5-11H,4H2,1-3H3,(H,20,21)

InChI Key

FUYYEYHYTYDFFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14778488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.943

Distribution Coefficient, logD

3.940

Water Solubility, LogSw

-3.93

Polar Surface Area

60.982

Acid Dissociation Constant (pKa)

9.54

Base Dissociation Constant (pKb)

-4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

C634-0052 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein-Protein Interaction Library (218420 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 C634-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C634-0052?
Check Price and Availability of C634-0052, 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 C634-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C634-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C634-0052
  • 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 C634-0052 available by request