C168-0520 Screening compound: 6,7-dimethoxy-4-[3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]-2-(2-methylpropyl)-1,2-dihydroisoquinolin-1-one

C168-0520 Screening compound: 6,7-dimethoxy-4-[3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]-2-(2-methylpropyl)-1,2-dihydroisoquinolin-1-one
C168-0520 Screening compound: 6,7-dimethoxy-4-[3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]-2-(2-methylpropyl)-1,2-dihydroisoquinolin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C168-0520
6,7-dimethoxy-4-[3-methyl-4-(4-methylphenyl)piperazine-1-carbonyl]-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

C168-0520

Molecular Formula

C28H35N3O4 (C28 H35 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CN(C=C(C(N(CC1)CC(C)N1c1ccc(C)cc1)=O)c(cc1OC)c2cc1OC)C2=O

InChI

InChI=1S/C28H35N3O4/c1-18(2)15-30-17-24(22-13-25(34-5)26(35-6)14-23(22)27(30)32)28(33)29-11-12-31(20(4)16-29)21-9-7-19(3)8-10-21/h7-10,13-14,17-18,20H,11-12,15-16H2,1-6H3/t20-/m0/s1

InChI Key

RWJOUIKGBOJYBD-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14723784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.6

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

4.298

Distribution Coefficient, logD

4.298

Water Solubility, LogSw

-4.24

Polar Surface Area

50.860

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

C168-0520 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C168-0520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C168-0520?
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What is the minimum amount of C168-0520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C168-0520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C168-0520
  • 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 C168-0520 available by request