C066-0616 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C066-0616 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
C066-0616 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-0616
N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyclohexyl-3-(4-methoxyphenyl)-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

C066-0616

Molecular Formula

C31H33ClN2O4 (C31 H33 ClN2 O4)

Compound Name

N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

IUPAC name

N-(4-chloro-2-methoxy-5-methylphenyl)-2-cyclohexyl-3-(4-methoxyphenyl)-1-oxo-1234-tetrahydroisoquinoline-4-carboxamide

SMILES

Cc(cc(c(OC)c1)NC(C(C(c(cc2)ccc2OC)N2C3CCCCC3)c(cccc3)c3C2=O)=O)c1Cl

InChI

InChI=1S/C31H33ClN2O4/c1-19-17-26(27(38-3)18-25(19)32)33-30(35)28-23-11-7-8-12-24(23)31(36)34(21-9-5-4-6-10-21)29(28)20-13-15-22(37-2)16-14-20/h7-8,11-18,21,28-29H,4-6,9-10H2,1-3H3,(H,33,35)

InChI Key

HMYLANPTKRGJMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.07

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.889

Distribution Coefficient, logD

6.792

Water Solubility, LogSw

-6.30

Polar Surface Area

52.440

Acid Dissociation Constant (pKa)

8.00

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.50

C066-0616 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C066-0616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-0616?
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What is the minimum amount of C066-0616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-0616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-0616
  • 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 C066-0616 available by request