L867-0096 Screening compound: tert-butyl 2-[2-(3-methylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyloxy]acetate

L867-0096 Screening compound: tert-butyl 2-[2-(3-methylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyloxy]acetate
L867-0096 Screening compound: tert-butyl 2-[2-(3-methylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyloxy]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound L867-0096
tert-butyl 2-[2-(3-methylphenyl)-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

L867-0096

Molecular Formula

C23H23NO5 (C23 H23 NO5)

Compound Name

tert-butyl 2-[2-(3-methylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carbonyloxy]acetate

IUPAC name

tert-butyl 2-[2-(3-methylphenyl)-1-oxo-12-dihydroisoquinoline-4-carbonyloxy]acetate

SMILES

CC(C)(C)OC(COC(C(c1c2cccc1)=CN(c1cc(C)ccc1)C2=O)=O)=O

InChI

InChI=1S/C23H23NO5/c1-15-8-7-9-16(12-15)24-13-19(17-10-5-6-11-18(17)21(24)26)22(27)28-14-20(25)29-23(2,3)4/h5-13H,14H2,1-4H3

InChI Key

OLBHJNVJYSUKSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16635131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.44

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

3.537

Distribution Coefficient, logD

3.537

Water Solubility, LogSw

-3.77

Polar Surface Area

56.152

Acid Dissociation Constant (pKa)

26.88

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with L867-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L867-0096?
Check Price and Availability of L867-0096, 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 L867-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L867-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L867-0096
  • 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 L867-0096 available by request