Y030-0314 Screening compound: 2-(4-methoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline

Y030-0314 Screening compound: 2-(4-methoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline
Y030-0314 Screening compound: 2-(4-methoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-0314
2-(4-methoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline

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

Y030-0314

Molecular Formula

C17H17NO2 (C17 H17 NO2)

Compound Name

2-(4-methoxybenzoyl)-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-(4-methoxybenzoyl)-1234-tetrahydroisoquinoline

SMILES

COc(cc1)ccc1C(N(CC1)Cc2c1cccc2)=O

InChI

InChI=1S/C17H17NO2/c1-20-16-8-6-14(7-9-16)17(19)18-11-10-13-4-2-3-5-15(13)12-18/h2-9H,10-12H2,1H3

InChI Key

XXUJYVMHIDEPAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00783894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.954

Distribution Coefficient, logD

2.954

Water Solubility, LogSw

-3.14

Polar Surface Area

24.092

Acid Dissociation Constant (pKa)

25.26

Base Dissociation Constant (pKb)

-4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

Y030-0314 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

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

Cardiovascular Library (22201 compounds)

GABA Library (7115 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Eye
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR
  • Ion Channels
  • Proteases

References: we are preparing a list of scientific research reports with Y030-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-0314?
Check Price and Availability of Y030-0314, 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 Y030-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-0314
  • 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 Y030-0314 available by request