5905-2750 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide

5905-2750 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide
5905-2750 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5905-2750
N-[2-(3,4-dimethoxyphenyl)ethyl]-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

5905-2750

Molecular Formula

C27H30N2O3 (C27 H30 N2 O3)

Compound Name

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

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-4-[(1234-tetrahydroisoquinolin-2-yl)methyl]benzamide

SMILES

COc(ccc(CCNC(c1ccc(CN(CC2)Cc3c2cccc3)cc1)=O)c1)c1OC

InChI

InChI=1S/C27H30N2O3/c1-31-25-12-9-20(17-26(25)32-2)13-15-28-27(30)23-10-7-21(8-11-23)18-29-16-14-22-5-3-4-6-24(22)19-29/h3-12,17H,13-16,18-19H2,1-2H3,(H,28,30)

InChI Key

WNHFEHOIMQCRCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02735346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.559

Distribution Coefficient, logD

3.279

Water Solubility, LogSw

-3.68

Polar Surface Area

43.149

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

7.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

5905-2750 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • Others
  • Proteases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5905-2750 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5905-2750?
Check Price and Availability of 5905-2750, 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 5905-2750 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5905-2750
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5905-2750
  • 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 5905-2750 available by request