G856-9223 Screening compound: ethyl 4-{2-[(2-methyl-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy]acetamido}benzoate

G856-9223 Screening compound: ethyl 4-{2-[(2-methyl-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy]acetamido}benzoate
G856-9223 Screening compound: ethyl 4-{2-[(2-methyl-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-9223
ethyl 4-{2-[(2-methyl-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy]acetamido}benzoate

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

G856-9223

Molecular Formula

C21H20N2O5 (C21 H20 N2 O5)

Compound Name

ethyl 4-{2-[(2-methyl-1-oxo-1,2-dihydroisoquinolin-5-yl)oxy]acetamido}benzoate

IUPAC name

ethyl 4-{2-[(2-methyl-1-oxo-12-dihydroisoquinolin-5-yl)oxy]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(COc1cccc2c1C=CN(C)C2=O)=O)=O

InChI

InChI=1S/C21H20N2O5/c1-3-27-21(26)14-7-9-15(10-8-14)22-19(24)13-28-18-6-4-5-17-16(18)11-12-23(2)20(17)25/h4-12H,3,13H2,1-2H3,(H,22,24)

InChI Key

YPRYBGJTBUBMQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07647210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.578

Distribution Coefficient, logD

2.578

Water Solubility, LogSw

-3.07

Polar Surface Area

66.885

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

G856-9223 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 G856-9223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-9223?
Check Price and Availability of G856-9223, 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 G856-9223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-9223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-9223
  • 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 G856-9223 available by request