G817-1398 Screening compound: ethyl 1-oxo-2-phenyl-1,2-dihydroisoquinoline-4-carboxylate

G817-1398 Screening compound: ethyl 1-oxo-2-phenyl-1,2-dihydroisoquinoline-4-carboxylate
G817-1398 Screening compound: ethyl 1-oxo-2-phenyl-1,2-dihydroisoquinoline-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G817-1398
ethyl 1-oxo-2-phenyl-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

G817-1398

Molecular Formula

C18H15NO3 (C18 H15 NO3)

Compound Name

ethyl 1-oxo-2-phenyl-1,2-dihydroisoquinoline-4-carboxylate

IUPAC name

ethyl 1-oxo-2-phenyl-12-dihydroisoquinoline-4-carboxylate

SMILES

CCOC(C(c1c2cccc1)=CN(c1ccccc1)C2=O)=O

InChI

InChI=1S/C18H15NO3/c1-2-22-18(21)16-12-19(13-8-4-3-5-9-13)17(20)15-11-7-6-10-14(15)16/h3-12H,2H2,1H3

InChI Key

MDRAMRDYMAFACM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27643572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.578

Distribution Coefficient, logD

2.578

Water Solubility, LogSw

-2.89

Polar Surface Area

36.508

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

-2.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

G817-1398 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G817-1398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G817-1398?
Check Price and Availability of G817-1398, 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 G817-1398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G817-1398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G817-1398
  • 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 G817-1398 available by request