C066-0620 Screening compound: 2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-N-(quinolin-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C066-0620 Screening compound: 2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-N-(quinolin-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
C066-0620 Screening compound: 2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-N-(quinolin-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-0620
2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-N-(quinolin-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

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

C066-0620

Molecular Formula

C32H31N3O3 (C32 H31 N3 O3)

Compound Name

2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-N-(quinolin-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

IUPAC name

2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-N-(quinolin-3-yl)-1234-tetrahydroisoquinoline-4-carboxamide

SMILES

COc1ccc(C(C(C(Nc2cc3ccccc3nc2)=O)c2c3cccc2)N(C2CCCCC2)C3=O)cc1

InChI

InChI=1S/C32H31N3O3/c1-38-25-17-15-21(16-18-25)30-29(31(36)34-23-19-22-9-5-8-14-28(22)33-20-23)26-12-6-7-13-27(26)32(37)35(30)24-10-3-2-4-11-24/h5-9,12-20,24,29-30H,2-4,10-11H2,1H3,(H,34,36)

InChI Key

JWWSZSPLQYSSDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.933

Distribution Coefficient, logD

5.933

Water Solubility, LogSw

-6.06

Polar Surface Area

54.360

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.10

C066-0620 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Lipid Metabolism Library (9174 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cardiovascular
  • Metabolic
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with C066-0620 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-0620?
Check Price and Availability of C066-0620, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C066-0620 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-0620
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-0620
  • 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 C066-0620 available by request