5954-5107 Screening compound: N-(3-ethoxypropyl)-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide

5954-5107 Screening compound: N-(3-ethoxypropyl)-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide
5954-5107 Screening compound: N-(3-ethoxypropyl)-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5954-5107
N-(3-ethoxypropyl)-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide

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

5954-5107

Molecular Formula

C22H28N2O2 (C22 H28 N2 O2)

Compound Name

N-(3-ethoxypropyl)-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide

IUPAC name

N-(3-ethoxypropyl)-4-[(1234-tetrahydroisoquinolin-2-yl)methyl]benzamide

SMILES

CCOCCCNC(c1ccc(CN(CC2)Cc3c2cccc3)cc1)=O

InChI

InChI=1S/C22H28N2O2/c1-2-26-15-5-13-23-22(25)20-10-8-18(9-11-20)16-24-14-12-19-6-3-4-7-21(19)17-24/h3-4,6-11H,2,5,12-17H2,1H3,(H,23,25)

InChI Key

QBMYRWCLYGBCBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04141703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.105

Distribution Coefficient, logD

2.824

Water Solubility, LogSw

-3.19

Polar Surface Area

36.137

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

7.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

5954-5107 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5954-5107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5954-5107?
Check Price and Availability of 5954-5107, 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 5954-5107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5954-5107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5954-5107
  • 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 5954-5107 available by request