C066-1523 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

C066-1523 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
C066-1523 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1523
N-[(2H-1,3-benzodioxol-5-yl)methyl]-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

C066-1523

Molecular Formula

C24H26N2O6 (C24 H26 N2 O6)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

IUPAC name

n/a

SMILES

CC(C)CN(C=C(C(NCc(cc1)cc2c1OCO2)=O)c(cc1OC)c2cc1OC)C2=O

InChI

InChI=1S/C24H26N2O6/c1-14(2)11-26-12-18(16-8-20(29-3)21(30-4)9-17(16)24(26)28)23(27)25-10-15-5-6-19-22(7-15)32-13-31-19/h5-9,12,14H,10-11,13H2,1-4H3,(H,25,27)

InChI Key

WFXURHYNDOFSJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.197

Distribution Coefficient, logD

3.197

Water Solubility, LogSw

-3.47

Polar Surface Area

73.261

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C066-1523 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C066-1523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1523?
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What is the minimum amount of C066-1523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1523
  • 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 C066-1523 available by request