G817-0119 Screening compound: (4-chlorophenyl)methyl 2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate

G817-0119 Screening compound: (4-chlorophenyl)methyl 2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
G817-0119 Screening compound: (4-chlorophenyl)methyl 2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G817-0119
(4-chlorophenyl)methyl 2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate

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

G817-0119

Molecular Formula

C24H18ClNO4 (C24 H18 ClNO4)

Compound Name

(4-chlorophenyl)methyl 2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate

IUPAC name

(4-chlorophenyl)methyl 2-(3-methoxyphenyl)-1-oxo-12-dihydroisoquinoline-4-carboxylate

SMILES

COc1cccc(N(C=C(C(OCc(cc2)ccc2Cl)=O)c2c3cccc2)C3=O)c1

InChI

InChI=1S/C24H18ClNO4/c1-29-19-6-4-5-18(13-19)26-14-22(20-7-2-3-8-21(20)23(26)27)24(28)30-15-16-9-11-17(25)12-10-16/h2-14H,15H2,1H3

InChI Key

MSMYMZXFKBFESJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27163074

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.547

Distribution Coefficient, logD

4.547

Water Solubility, LogSw

-4.89

Polar Surface Area

44.156

Acid Dissociation Constant (pKa)

29.81

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

G817-0119 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

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 G817-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G817-0119?
Check Price and Availability of G817-0119, 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 G817-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G817-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G817-0119
  • 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 G817-0119 available by request