C066-3996 Screening compound: N-(2-ethylphenyl)-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

C066-3996 Screening compound: N-(2-ethylphenyl)-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
C066-3996 Screening compound: N-(2-ethylphenyl)-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-3996
N-(2-ethylphenyl)-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

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

C066-3996

Molecular Formula

C19H18N2O2 (C19 H18 N2 O2)

Compound Name

N-(2-ethylphenyl)-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

IUPAC name

N-(2-ethylphenyl)-2-methyl-1-oxo-12-dihydroisoquinoline-4-carboxamide

SMILES

CCc(cccc1)c1NC(C(c1c2cccc1)=CN(C)C2=O)=O

InChI

InChI=1S/C19H18N2O2/c1-3-13-8-4-7-11-17(13)20-18(22)16-12-21(2)19(23)15-10-6-5-9-14(15)16/h4-12H,3H2,1-2H3,(H,20,22)

InChI Key

WMELIKCSDUYBEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.663

Distribution Coefficient, logD

2.662

Water Solubility, LogSw

-3.32

Polar Surface Area

38.580

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

-2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

C066-3996 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C066-3996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-3996?
Check Price and Availability of C066-3996, 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 C066-3996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-3996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-3996
  • 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 C066-3996 available by request