C080-0023 Screening compound: N-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

C080-0023 Screening compound: N-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
C080-0023 Screening compound: N-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C080-0023
N-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-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

C080-0023

Molecular Formula

C28H28N2O7 (C28 H28 N2 O7)

Compound Name

N-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-1,2-dihydroisoquinoline-4-carboxamide

IUPAC name

N-(34-dimethoxyphenyl)-2-(4-ethoxyphenyl)-67-dimethoxy-1-oxo-12-dihydroisoquinoline-4-carboxamide

SMILES

CCOc(cc1)ccc1N(C=C(C(Nc(cc1)cc(OC)c1OC)=O)c(cc1OC)c2cc1OC)C2=O

InChI

InChI=1S/C28H28N2O7/c1-6-37-19-10-8-18(9-11-19)30-16-22(20-14-25(35-4)26(36-5)15-21(20)28(30)32)27(31)29-17-7-12-23(33-2)24(13-17)34-3/h7-16H,6H2,1-5H3,(H,29,31)

InChI Key

GJKCEUSDLNZPFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14717802

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.680

Distribution Coefficient, logD

3.679

Water Solubility, LogSw

-4.00

Polar Surface Area

76.491

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

1.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C080-0023 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C080-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C080-0023?
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What is the minimum amount of C080-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C080-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C080-0023
  • 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 C080-0023 available by request