L466-0086 Screening compound: 2-[4-(quinoxalin-2-yl)phenoxy]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

L466-0086 Screening compound: 2-[4-(quinoxalin-2-yl)phenoxy]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one
L466-0086 Screening compound: 2-[4-(quinoxalin-2-yl)phenoxy]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L466-0086
2-[4-(quinoxalin-2-yl)phenoxy]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

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

L466-0086

Molecular Formula

C25H21N3O2 (C25 H21 N3 O2)

Compound Name

2-[4-(quinoxalin-2-yl)phenoxy]-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

IUPAC name

2-[4-(quinoxalin-2-yl)phenoxy]-1-(1234-tetrahydroisoquinolin-2-yl)ethan-1-one

SMILES

O=C(COc(cc1)ccc1-c1nc2ccccc2nc1)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C25H21N3O2/c29-25(28-14-13-18-5-1-2-6-20(18)16-28)17-30-21-11-9-19(10-12-21)24-15-26-22-7-3-4-8-23(22)27-24/h1-12,15H,13-14,16-17H2

InChI Key

BGPWBEMSQPHXBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27254658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.577

Distribution Coefficient, logD

4.577

Water Solubility, LogSw

-4.42

Polar Surface Area

40.703

Acid Dissociation Constant (pKa)

24.39

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

L466-0086 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L466-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L466-0086?
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What is the minimum amount of L466-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L466-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L466-0086
  • 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 L466-0086 available by request