G817-0122 Screening compound: 4-fluorophenyl 2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate

G817-0122 Screening compound: 4-fluorophenyl 2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
G817-0122 Screening compound: 4-fluorophenyl 2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G817-0122
4-fluorophenyl 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

G817-0122

Molecular Formula

C23H16FNO4 (C23 H16 FNO4)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(N(C=C(C(Oc(cc2)ccc2F)=O)c2c3cccc2)C3=O)c1

InChI

InChI=1S/C23H16FNO4/c1-28-18-6-4-5-16(13-18)25-14-21(19-7-2-3-8-20(19)22(25)26)23(27)29-17-11-9-15(24)10-12-17/h2-14H,1H3

InChI Key

ICYZHZNPDPFTNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27163077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.894

Distribution Coefficient, logD

3.894

Water Solubility, LogSw

-4.19

Polar Surface Area

43.676

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

G817-0122 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G817-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G817-0122?
Check Price and Availability of G817-0122, 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 G817-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G817-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G817-0122
  • 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 G817-0122 available by request