L867-0060 Screening compound: butyl 2-(3-methylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate

L867-0060 Screening compound: butyl 2-(3-methylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
L867-0060 Screening compound: butyl 2-(3-methylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L867-0060
butyl 2-(3-methylphenyl)-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

L867-0060

Molecular Formula

C21H21NO3 (C21 H21 NO3)

Compound Name

butyl 2-(3-methylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate

IUPAC name

butyl 2-(3-methylphenyl)-1-oxo-12-dihydroisoquinoline-4-carboxylate

SMILES

CCCCOC(C(c1c2cccc1)=CN(c1cc(C)ccc1)C2=O)=O

InChI

InChI=1S/C21H21NO3/c1-3-4-12-25-21(24)19-14-22(16-9-7-8-15(2)13-16)20(23)18-11-6-5-10-17(18)19/h5-11,13-14H,3-4,12H2,1-2H3

InChI Key

VJVOCNXDXGEIDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27483016

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.197

Distribution Coefficient, logD

4.197

Water Solubility, LogSw

-4.28

Polar Surface Area

36.802

Acid Dissociation Constant (pKa)

28.32

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

L867-0060 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L867-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L867-0060?
Check Price and Availability of L867-0060, 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 L867-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L867-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L867-0060
  • 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 L867-0060 available by request