3455-3058 Screening compound: 2-(3,4-dimethoxyphenyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

3455-3058 Screening compound: 2-(3,4-dimethoxyphenyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
3455-3058 Screening compound: 2-(3,4-dimethoxyphenyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3455-3058
2-(3,4-dimethoxyphenyl)-1-(1,2,3,4-tetrahydroquinolin-1-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

3455-3058

Molecular Formula

C19H21NO3 (C19 H21 NO3)

Compound Name

2-(3,4-dimethoxyphenyl)-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one

IUPAC name

2-(34-dimethoxyphenyl)-1-(1234-tetrahydroquinolin-1-yl)ethan-1-one

SMILES

COc(ccc(CC(N(CCC1)c2c1cccc2)=O)c1)c1OC

InChI

InChI=1S/C19H21NO3/c1-22-17-10-9-14(12-18(17)23-2)13-19(21)20-11-5-7-15-6-3-4-8-16(15)20/h3-4,6,8-10,12H,5,7,11,13H2,1-2H3

InChI Key

ISGXBYOWODWLLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01196195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.376

Distribution Coefficient, logD

3.376

Water Solubility, LogSw

-3.61

Polar Surface Area

30.285

Acid Dissociation Constant (pKa)

16.63

Base Dissociation Constant (pKb)

0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

3455-3058 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 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:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3455-3058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3455-3058?
Check Price and Availability of 3455-3058, 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 3455-3058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3455-3058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3455-3058
  • 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 3455-3058 available by request