C066-1340 Screening compound: 4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-ethyl-6,7-dimethoxy-1,2-dihydroisoquinolin-1-one

C066-1340 Screening compound: 4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-ethyl-6,7-dimethoxy-1,2-dihydroisoquinolin-1-one
C066-1340 Screening compound: 4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-ethyl-6,7-dimethoxy-1,2-dihydroisoquinolin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1340
4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-ethyl-6,7-dimethoxy-1,2-dihydroisoquinolin-1-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

C066-1340

Molecular Formula

C25H28ClN3O4 (C25 H28 ClN3 O4)

Compound Name

4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-ethyl-6,7-dimethoxy-1,2-dihydroisoquinolin-1-one

IUPAC name

4-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-2-ethyl-67-dimethoxy-12-dihydroisoquinolin-1-one

SMILES

CCN(C=C(C(N(CC1)CCN1c1c(C)ccc(Cl)c1)=O)c(cc1OC)c2cc1OC)C2=O

InChI

InChI=1S/C25H28ClN3O4/c1-5-27-15-20(18-13-22(32-3)23(33-4)14-19(18)24(27)30)25(31)29-10-8-28(9-11-29)21-12-17(26)7-6-16(21)2/h6-7,12-15H,5,8-11H2,1-4H3

InChI Key

JOLMFHMVKPBDRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.904

Distribution Coefficient, logD

3.904

Water Solubility, LogSw

-4.25

Polar Surface Area

51.065

Acid Dissociation Constant (pKa)

28.31

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C066-1340 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with C066-1340 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1340?
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What is the minimum amount of C066-1340 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1340
  • 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 C066-1340 available by request