C154-0190 Screening compound: 6,7-dimethoxy-N~4~-(2-methoxybenzyl)-2-methyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide

C154-0190 Screening compound: 6,7-dimethoxy-N~4~-(2-methoxybenzyl)-2-methyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide
C154-0190 Screening compound: 6,7-dimethoxy-N~4~-(2-methoxybenzyl)-2-methyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C154-0190
6,7-dimethoxy-N~4~-(2-methoxybenzyl)-2-methyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide

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

C154-0190

Molecular Formula

C21H22N2O5 (C21 H22 N2 O5)

Compound Name

6,7-dimethoxy-N~4~-(2-methoxybenzyl)-2-methyl-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide

IUPAC name

67-dimethoxy-N-[(2-methoxyphenyl)methyl]-2-methyl-1-oxo-12-dihydroisoquinoline-4-carboxamide

SMILES

CN(C=C(C(NCc(cccc1)c1OC)=O)c(cc1OC)c2cc1OC)C2=O

InChI

InChI=1S/C21H22N2O5/c1-23-12-16(20(24)22-11-13-7-5-6-8-17(13)26-2)14-9-18(27-3)19(28-4)10-15(14)21(23)25/h5-10,12H,11H2,1-4H3,(H,22,24)

InChI Key

APEBYOBDIWVBHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.989

Distribution Coefficient, logD

1.989

Water Solubility, LogSw

-2.72

Polar Surface Area

63.491

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

C154-0190 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 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
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C154-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C154-0190?
Check Price and Availability of C154-0190, 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 C154-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C154-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C154-0190
  • 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 C154-0190 available by request