L867-0357 Screening compound: (pyridin-4-yl)methyl 2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate

L867-0357 Screening compound: (pyridin-4-yl)methyl 2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
L867-0357 Screening compound: (pyridin-4-yl)methyl 2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L867-0357
(pyridin-4-yl)methyl 2-(3-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

L867-0357

Molecular Formula

C23H18N2O4 (C23 H18 N2 O4)

Compound Name

(pyridin-4-yl)methyl 2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate

IUPAC name

(pyridin-4-yl)methyl 2-(3-methoxyphenyl)-1-oxo-12-dihydroisoquinoline-4-carboxylate

SMILES

COc1cccc(N(C=C(C(OCc2ccncc2)=O)c2c3cccc2)C3=O)c1

InChI

InChI=1S/C23H18N2O4/c1-28-18-6-4-5-17(13-18)25-14-21(19-7-2-3-8-20(19)22(25)26)23(27)29-15-16-9-11-24-12-10-16/h2-14H,15H2,1H3

InChI Key

WJFDXBLANDZORL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27483023

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.595

Distribution Coefficient, logD

2.594

Water Solubility, LogSw

-3.03

Polar Surface Area

53.584

Acid Dissociation Constant (pKa)

31.10

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

L867-0357 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L867-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L867-0357?
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What is the minimum amount of L867-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L867-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L867-0357
  • 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 L867-0357 available by request