C066-1608 Screening compound: N-(4-ethylphenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1-oxo-N-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C066-1608 Screening compound: N-(4-ethylphenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1-oxo-N-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
C066-1608 Screening compound: N-(4-ethylphenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1-oxo-N-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1608
N-(4-ethylphenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1-oxo-N-propyl-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

C066-1608

Molecular Formula

C31H36N2O5 (C31 H36 N2 O5)

Compound Name

N-(4-ethylphenyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1-oxo-N-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

IUPAC name

N-(4-ethylphenyl)-67-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1-oxo-N-propyl-1234-tetrahydroisoquinoline-4-carboxamide

SMILES

CCCN(C(C(C(c(cc1)ccc1OC)N1C)c(cc(c(OC)c2)OC)c2C1=O)=O)c1ccc(CC)cc1

InChI

InChI=1S/C31H36N2O5/c1-7-17-33(22-13-9-20(8-2)10-14-22)31(35)28-24-18-26(37-5)27(38-6)19-25(24)30(34)32(3)29(28)21-11-15-23(36-4)16-12-21/h9-16,18-19,28-29H,7-8,17H2,1-6H3

InChI Key

UGMZUTZMFWCQNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.272

Distribution Coefficient, logD

5.272

Water Solubility, LogSw

-5.14

Polar Surface Area

54.094

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

35.50

C066-1608 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C066-1608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1608?
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What is the minimum amount of C066-1608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1608
  • 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 C066-1608 available by request