C168-0176 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide

C168-0176 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide
C168-0176 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C168-0176
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide

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

C168-0176

Molecular Formula

C22H22N2O6 (C22 H22 N2 O6)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-6,7-dimethoxy-1-oxo-1,2-dihydro-4-isoquinolinecarboxamide

IUPAC name

n/a

SMILES

CCN(C=C(C(Nc(cc1)cc2c1OCCO2)=O)c(cc1OC)c2cc1OC)C2=O

InChI

InChI=1S/C22H22N2O6/c1-4-24-12-16(14-10-18(27-2)19(28-3)11-15(14)22(24)26)21(25)23-13-5-6-17-20(9-13)30-8-7-29-17/h5-6,9-12H,4,7-8H2,1-3H3,(H,23,25)

InChI Key

JOGUVJANXMPQPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.749

Distribution Coefficient, logD

1.732

Water Solubility, LogSw

-2.56

Polar Surface Area

70.372

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

C168-0176 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C168-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C168-0176?
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What is the minimum amount of C168-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C168-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C168-0176
  • 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 C168-0176 available by request