G856-9368 Screening compound: ethyl 2-(2-{[1-oxo-2-(prop-2-en-1-yl)-1,2-dihydroisoquinolin-5-yl]oxy}acetamido)benzoate

G856-9368 Screening compound: ethyl 2-(2-{[1-oxo-2-(prop-2-en-1-yl)-1,2-dihydroisoquinolin-5-yl]oxy}acetamido)benzoate
G856-9368 Screening compound: ethyl 2-(2-{[1-oxo-2-(prop-2-en-1-yl)-1,2-dihydroisoquinolin-5-yl]oxy}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-9368
ethyl 2-(2-{[1-oxo-2-(prop-2-en-1-yl)-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

G856-9368

Molecular Formula

C23H22N2O5 (C23 H22 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cccc1)c1NC(COc1cccc2c1C=CN(CC=C)C2=O)=O)=O

InChI

InChI=1S/C23H22N2O5/c1-3-13-25-14-12-16-17(22(25)27)9-7-11-20(16)30-15-21(26)24-19-10-6-5-8-18(19)23(28)29-4-2/h3,5-12,14H,1,4,13,15H2,2H3,(H,24,26)

InChI Key

FLKMDGVVNGLINA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07647315

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.156

Distribution Coefficient, logD

3.141

Water Solubility, LogSw

-3.51

Polar Surface Area

66.451

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with G856-9368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-9368?
Check Price and Availability of G856-9368, 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 G856-9368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-9368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-9368
  • 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 G856-9368 available by request