L867-0580 Screening compound: tert-butyl 2-[2-(4-fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyloxy]acetate

L867-0580 Screening compound: tert-butyl 2-[2-(4-fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyloxy]acetate
L867-0580 Screening compound: tert-butyl 2-[2-(4-fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyloxy]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound L867-0580
tert-butyl 2-[2-(4-fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyloxy]acetate

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

L867-0580

Molecular Formula

C22H20FNO5 (C22 H20 FNO5)

Compound Name

tert-butyl 2-[2-(4-fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyloxy]acetate

IUPAC name

tert-butyl 2-[2-(4-fluorophenyl)-1-oxo-12-dihydroisoquinoline-4-carbonyloxy]acetate

SMILES

CC(C)(C)OC(COC(C(c1c2cccc1)=CN(c(cc1)ccc1F)C2=O)=O)=O

InChI

InChI=1S/C22H20FNO5/c1-22(2,3)29-19(25)13-28-21(27)18-12-24(15-10-8-14(23)9-11-15)20(26)17-7-5-4-6-16(17)18/h4-12H,13H2,1-3H3

InChI Key

KRYHRLHUUQOBBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15135810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.052

Distribution Coefficient, logD

3.052

Water Solubility, LogSw

-3.44

Polar Surface Area

56.152

Acid Dissociation Constant (pKa)

26.88

Base Dissociation Constant (pKb)

-2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with L867-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L867-0580?
Check Price and Availability of L867-0580, 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 L867-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L867-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L867-0580
  • 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 L867-0580 available by request