C066-1404 Screening compound: N,2-diethyl-6,7-dimethoxy-N-(2-methylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

C066-1404 Screening compound: N,2-diethyl-6,7-dimethoxy-N-(2-methylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
C066-1404 Screening compound: N,2-diethyl-6,7-dimethoxy-N-(2-methylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1404
N,2-diethyl-6,7-dimethoxy-N-(2-methylphenyl)-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

C066-1404

Molecular Formula

C23H26N2O4 (C23 H26 N2 O4)

Compound Name

N,2-diethyl-6,7-dimethoxy-N-(2-methylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

IUPAC name

N2-diethyl-67-dimethoxy-N-(2-methylphenyl)-1-oxo-12-dihydroisoquinoline-4-carboxamide

SMILES

CCN(C(C(c(cc1OC)c2cc1OC)=CN(CC)C2=O)=O)c1c(C)cccc1

InChI

InChI=1S/C23H26N2O4/c1-6-24-14-18(23(27)25(7-2)19-11-9-8-10-15(19)3)16-12-20(28-4)21(29-5)13-17(16)22(24)26/h8-14H,6-7H2,1-5H3

InChI Key

SDVLONMCCQSNTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.493

Distribution Coefficient, logD

3.493

Water Solubility, LogSw

-3.76

Polar Surface Area

46.504

Acid Dissociation Constant (pKa)

28.59

Base Dissociation Constant (pKb)

-2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C066-1404 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C066-1404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1404?
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What is the minimum amount of C066-1404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1404
  • 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 C066-1404 available by request