G817-0006 Screening compound: 4-fluorophenyl 2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate

G817-0006 Screening compound: 4-fluorophenyl 2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
G817-0006 Screening compound: 4-fluorophenyl 2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G817-0006
4-fluorophenyl 2-(4-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

G817-0006

Molecular Formula

C23H16FNO4 (C23 H16 FNO4)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1N(C=C(C(Oc(cc1)ccc1F)=O)c1c2cccc1)C2=O

InChI

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

InChI Key

UVQWTXLECFEADF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27163015

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

3.698

Distribution Coefficient, logD

3.698

Water Solubility, LogSw

-4.20

Polar Surface Area

43.676

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

G817-0006 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G817-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G817-0006?
Check Price and Availability of G817-0006, 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 G817-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G817-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G817-0006
  • 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 G817-0006 available by request