C066-1505 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

C066-1505 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
C066-1505 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1505
N-[2-(3,4-diethoxyphenyl)ethyl]-6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-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

C066-1505

Molecular Formula

C28H36N2O6 (C28 H36 N2 O6)

Compound Name

N-[2-(3,4-diethoxyphenyl)ethyl]-6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-67-dimethoxy-2-(2-methylpropyl)-1-oxo-12-dihydroisoquinoline-4-carboxamide

SMILES

CCOc(ccc(CCNC(C(c(cc1OC)c2cc1OC)=CN(CC(C)C)C2=O)=O)c1)c1OCC

InChI

InChI=1S/C28H36N2O6/c1-7-35-23-10-9-19(13-26(23)36-8-2)11-12-29-27(31)22-17-30(16-18(3)4)28(32)21-15-25(34-6)24(33-5)14-20(21)22/h9-10,13-15,17-18H,7-8,11-12,16H2,1-6H3,(H,29,31)

InChI Key

JPHOFOPYADTTPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.226

Distribution Coefficient, logD

3.226

Water Solubility, LogSw

-3.50

Polar Surface Area

70.408

Acid Dissociation Constant (pKa)

11.98

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C066-1505 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C066-1505 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1505?
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What is the minimum amount of C066-1505 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1505
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1505
  • 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 C066-1505 available by request