C066-2018 Screening compound: 3-(4-fluorophenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid

C066-2018 Screening compound: 3-(4-fluorophenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid
C066-2018 Screening compound: 3-(4-fluorophenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-2018
3-(4-fluorophenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid

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

C066-2018

Molecular Formula

C17H14FNO3 (C17 H14 FNO3)

Compound Name

3-(4-fluorophenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid

IUPAC name

n/a

SMILES

CN(C(C(C(O)=O)c1c2cccc1)c(cc1)ccc1F)C2=O

InChI

InChI=1S/C17H14FNO3/c1-19-15(10-6-8-11(18)9-7-10)14(17(21)22)12-4-2-3-5-13(12)16(19)20/h2-9,14-15H,1H3,(H,21,22)

InChI Key

QDZPCUIVMOWYRW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.842

Distribution Coefficient, logD

-0.879

Water Solubility, LogSw

-2.26

Polar Surface Area

44.097

Acid Dissociation Constant (pKa)

4.68

Base Dissociation Constant (pKb)

-7.89

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.65

References: we are preparing a list of scientific research reports with C066-2018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-2018?
Check Price and Availability of C066-2018, 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 C066-2018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-2018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-2018
  • 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 C066-2018 available by request