C066-0987 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamide

C066-0987 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamide
C066-0987 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-0987
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamide

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

C066-0987

Molecular Formula

C21H22N2O4 (C21 H22 N2 O4)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-(1-oxo-12-dihydroisoquinolin-2-yl)acetamide

SMILES

COc(ccc(CCNC(CN(C=Cc1c2cccc1)C2=O)=O)c1)c1OC

InChI

InChI=1S/C21H22N2O4/c1-26-18-8-7-15(13-19(18)27-2)9-11-22-20(24)14-23-12-10-16-5-3-4-6-17(16)21(23)25/h3-8,10,12-13H,9,11,14H2,1-2H3,(H,22,24)

InChI Key

WFOAZWKROPANKD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03449257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.329

Distribution Coefficient, logD

1.329

Water Solubility, LogSw

-2.39

Polar Surface Area

55.255

Acid Dissociation Constant (pKa)

14.80

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C066-0987 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C066-0987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-0987?
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What is the minimum amount of C066-0987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-0987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-0987
  • 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 C066-0987 available by request