C168-0467 Screening compound: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-(2-methylpropyl)-1,2-dihydroisoquinolin-1-one

C168-0467 Screening compound: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-(2-methylpropyl)-1,2-dihydroisoquinolin-1-one
C168-0467 Screening compound: 4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-(2-methylpropyl)-1,2-dihydroisoquinolin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C168-0467
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-(2-methylpropyl)-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

C168-0467

Molecular Formula

C26H30ClN3O4 (C26 H30 ClN3 O4)

Compound Name

4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-6,7-dimethoxy-2-(2-methylpropyl)-1,2-dihydroisoquinolin-1-one

IUPAC name

4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-67-dimethoxy-2-(2-methylpropyl)-12-dihydroisoquinolin-1-one

SMILES

CC(C)CN(C=C(C(N(CC1)CCN1c1cccc(Cl)c1)=O)c(cc1OC)c2cc1OC)C2=O

InChI

InChI=1S/C26H30ClN3O4/c1-17(2)15-30-16-22(20-13-23(33-3)24(34-4)14-21(20)25(30)31)26(32)29-10-8-28(9-11-29)19-7-5-6-18(27)12-19/h5-7,12-14,16-17H,8-11,15H2,1-4H3

InChI Key

MHYACDMIBYWRGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.144

Distribution Coefficient, logD

4.144

Water Solubility, LogSw

-4.48

Polar Surface Area

51.641

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

C168-0467 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C168-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C168-0467?
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What is the minimum amount of C168-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C168-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C168-0467
  • 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 C168-0467 available by request