4173-0344 Screening compound: 2-(2-bromo-4-methylphenoxy)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

4173-0344 Screening compound: 2-(2-bromo-4-methylphenoxy)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one
4173-0344 Screening compound: 2-(2-bromo-4-methylphenoxy)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4173-0344
2-(2-bromo-4-methylphenoxy)-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

4173-0344

Molecular Formula

C18H18BrNO2 (C18 H18 BrNO2)

Compound Name

2-(2-bromo-4-methylphenoxy)-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one

IUPAC name

2-(2-bromo-4-methylphenoxy)-1-(1234-tetrahydroisoquinolin-2-yl)ethan-1-one

SMILES

Cc(cc1)cc(Br)c1OCC(N(CC1)Cc2c1cccc2)=O

InChI

InChI=1S/C18H18BrNO2/c1-13-6-7-17(16(19)10-13)22-12-18(21)20-9-8-14-4-2-3-5-15(14)11-20/h2-7,10H,8-9,11-12H2,1H3

InChI Key

MEZZMGNDNKMPCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02012295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.860

Distribution Coefficient, logD

3.860

Water Solubility, LogSw

-3.82

Polar Surface Area

23.607

Acid Dissociation Constant (pKa)

24.39

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

4173-0344 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4173-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4173-0344?
Check Price and Availability of 4173-0344, 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 4173-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4173-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4173-0344
  • 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 4173-0344 available by request