G856-9408 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(2-methoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}acetamide

G856-9408 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(2-methoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}acetamide
G856-9408 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(2-methoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-9408
N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(2-methoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}acetamide

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

G856-9408

Molecular Formula

C21H20N2O6 (C21 H20 N2 O6)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-{[2-(2-methoxyethyl)-1-oxo-1,2-dihydroisoquinolin-5-yl]oxy}acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-{[2-(2-methoxyethyl)-1-oxo-12-dihydroisoquinolin-5-yl]oxy}acetamide

SMILES

COCCN(C=Cc1c2cccc1OCC(Nc(cc1)cc3c1OCO3)=O)C2=O

InChI

InChI=1S/C21H20N2O6/c1-26-10-9-23-8-7-15-16(21(23)25)3-2-4-17(15)27-12-20(24)22-14-5-6-18-19(11-14)29-13-28-18/h2-8,11H,9-10,12-13H2,1H3,(H,22,24)

InChI Key

MALZRVXNPRYHFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07647362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.4

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

2.118

Distribution Coefficient, logD

2.118

Water Solubility, LogSw

-3.15

Polar Surface Area

71.853

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G856-9408 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G856-9408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-9408?
Check Price and Availability of G856-9408, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G856-9408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-9408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-9408
  • 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 G856-9408 available by request