C066-1539 Screening compound: N-(3,3-diethoxypropyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C066-1539 Screening compound: N-(3,3-diethoxypropyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
C066-1539 Screening compound: N-(3,3-diethoxypropyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1539
N-(3,3-diethoxypropyl)-6,7-dimethoxy-3-(4-methoxyphenyl)-2-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

C066-1539

Molecular Formula

C27H36N2O7 (C27 H36 N2 O7)

Compound Name

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

IUPAC name

N-(33-diethoxypropyl)-67-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1-oxo-1234-tetrahydroisoquinoline-4-carboxamide

SMILES

CCOC(CCNC(C(C(c(cc1)ccc1OC)N1C)c(cc(c(OC)c2)OC)c2C1=O)=O)OCC

InChI

InChI=1S/C27H36N2O7/c1-7-35-23(36-8-2)13-14-28-26(30)24-19-15-21(33-5)22(34-6)16-20(19)27(31)29(3)25(24)17-9-11-18(32-4)12-10-17/h9-12,15-16,23-25H,7-8,13-14H2,1-6H3,(H,28,30)

InChI Key

CQUHXBQACCXMGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.068

Distribution Coefficient, logD

2.068

Water Solubility, LogSw

-3.04

Polar Surface Area

77.673

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.10

C066-1539 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C066-1539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1539?
Check Price and Availability of C066-1539, 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 C066-1539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1539
  • 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 C066-1539 available by request