C066-0445 Screening compound: N,2-dicyclohexyl-3-(4-methoxyphenyl)-N-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C066-0445 Screening compound: N,2-dicyclohexyl-3-(4-methoxyphenyl)-N-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
C066-0445 Screening compound: N,2-dicyclohexyl-3-(4-methoxyphenyl)-N-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-0445
N,2-dicyclohexyl-3-(4-methoxyphenyl)-N-methyl-1-oxo-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

C066-0445

Molecular Formula

C30H38N2O3 (C30 H38 N2 O3)

Compound Name

N,2-dicyclohexyl-3-(4-methoxyphenyl)-N-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

IUPAC name

N2-dicyclohexyl-3-(4-methoxyphenyl)-N-methyl-1-oxo-1234-tetrahydroisoquinoline-4-carboxamide

SMILES

CN(C1CCCCC1)C(C(C(c(cc1)ccc1OC)N1C2CCCCC2)c(cccc2)c2C1=O)=O

InChI

InChI=1S/C30H38N2O3/c1-31(22-11-5-3-6-12-22)30(34)27-25-15-9-10-16-26(25)29(33)32(23-13-7-4-8-14-23)28(27)21-17-19-24(35-2)20-18-21/h9-10,15-20,22-23,27-28H,3-8,11-14H2,1-2H3

InChI Key

NPISHSJGLPCKHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.64

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.669

Distribution Coefficient, logD

5.669

Water Solubility, LogSw

-5.42

Polar Surface Area

37.619

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.30

C066-0445 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C066-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-0445?
Check Price and Availability of C066-0445, 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 C066-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-0445
  • 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 C066-0445 available by request