C066-1524 Screening compound: 6,7-dimethoxy-2-(2-methylpropyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1,2-dihydroisoquinolin-1-one

C066-1524 Screening compound: 6,7-dimethoxy-2-(2-methylpropyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1,2-dihydroisoquinolin-1-one
C066-1524 Screening compound: 6,7-dimethoxy-2-(2-methylpropyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1,2-dihydroisoquinolin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1524
6,7-dimethoxy-2-(2-methylpropyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-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

C066-1524

Molecular Formula

C27H30F3N3O4 (C27 H30 F3 N3 O4)

Compound Name

6,7-dimethoxy-2-(2-methylpropyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-1,2-dihydroisoquinolin-1-one

IUPAC name

67-dimethoxy-2-(2-methylpropyl)-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-12-dihydroisoquinolin-1-one

SMILES

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

InChI

InChI=1S/C27H30F3N3O4/c1-17(2)15-33-16-22(20-13-23(36-3)24(37-4)14-21(20)25(33)34)26(35)32-10-8-31(9-11-32)19-7-5-6-18(12-19)27(28,29)30/h5-7,12-14,16-17H,8-11,15H2,1-4H3

InChI Key

QPDHRRBVWWSTEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.361

Distribution Coefficient, logD

4.361

Water Solubility, LogSw

-4.38

Polar Surface Area

51.641

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

C066-1524 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 C066-1524 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1524?
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What is the minimum amount of C066-1524 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1524
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1524
  • 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 C066-1524 available by request