C080-0068 Screening compound: 2-(4-ethoxyphenyl)-N-[(furan-2-yl)methyl]-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

C080-0068 Screening compound: 2-(4-ethoxyphenyl)-N-[(furan-2-yl)methyl]-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
C080-0068 Screening compound: 2-(4-ethoxyphenyl)-N-[(furan-2-yl)methyl]-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C080-0068
2-(4-ethoxyphenyl)-N-[(furan-2-yl)methyl]-6,7-dimethoxy-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

C080-0068

Molecular Formula

C25H24N2O6 (C25 H24 N2 O6)

Compound Name

2-(4-ethoxyphenyl)-N-[(furan-2-yl)methyl]-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

IUPAC name

2-(4-ethoxyphenyl)-N-[(furan-2-yl)methyl]-67-dimethoxy-1-oxo-12-dihydroisoquinoline-4-carboxamide

SMILES

CCOc(cc1)ccc1N(C=C(C(NCc1ccco1)=O)c(cc1OC)c2cc1OC)C2=O

InChI

InChI=1S/C25H24N2O6/c1-4-32-17-9-7-16(8-10-17)27-15-21(24(28)26-14-18-6-5-11-33-18)19-12-22(30-2)23(31-3)13-20(19)25(27)29/h5-13,15H,4,14H2,1-3H3,(H,26,28)

InChI Key

BYJDVGMWGMHFBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14717832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.465

Distribution Coefficient, logD

3.465

Water Solubility, LogSw

-3.66

Polar Surface Area

70.301

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C080-0068 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

BRD4 Targeted Library (4534 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with C080-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C080-0068?
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What is the minimum amount of C080-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C080-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C080-0068
  • 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 C080-0068 available by request