Y030-6717 Screening compound: 1-[3,4-dihydro-2(1H)-isoquinolinyl]-4-phenoxy-1-butanone

Y030-6717 Screening compound: 1-[3,4-dihydro-2(1H)-isoquinolinyl]-4-phenoxy-1-butanone
Y030-6717 Screening compound: 1-[3,4-dihydro-2(1H)-isoquinolinyl]-4-phenoxy-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-6717
1-[3,4-dihydro-2(1H)-isoquinolinyl]-4-phenoxy-1-butanone

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

Y030-6717

Molecular Formula

C19H21NO2 (C19 H21 NO2)

Compound Name

1-[3,4-dihydro-2(1H)-isoquinolinyl]-4-phenoxy-1-butanone

IUPAC name

4-phenoxy-1-(1234-tetrahydroisoquinolin-2-yl)butan-1-one

SMILES

O=C(CCCOc1ccccc1)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C19H21NO2/c21-19(11-6-14-22-18-9-2-1-3-10-18)20-13-12-16-7-4-5-8-17(16)15-20/h1-5,7-10H,6,11-15H2

InChI Key

BBWBVFUAZMADON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03576445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.627

Distribution Coefficient, logD

3.627

Water Solubility, LogSw

-3.64

Polar Surface Area

23.439

Acid Dissociation Constant (pKa)

22.82

Base Dissociation Constant (pKb)

-2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.58

Y030-6717 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y030-6717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-6717?
Check Price and Availability of Y030-6717, 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 Y030-6717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-6717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-6717
  • 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 Y030-6717 available by request