7894-5364 Screening compound: N-cyclooctyl-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide

7894-5364 Screening compound: N-cyclooctyl-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide
7894-5364 Screening compound: N-cyclooctyl-4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7894-5364
N-cyclooctyl-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

7894-5364

Molecular Formula

C25H32N2O (C25 H32 N2 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(CN(CC2)Cc3c2cccc3)cc1)NC1CCCCCCC1

InChI

InChI=1S/C25H32N2O/c28-25(26-24-10-4-2-1-3-5-11-24)22-14-12-20(13-15-22)18-27-17-16-21-8-6-7-9-23(21)19-27/h6-9,12-15,24H,1-5,10-11,16-19H2,(H,26,28)

InChI Key

LBSIYPGHVJJMNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09440703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.433

Distribution Coefficient, logD

5.152

Water Solubility, LogSw

-5.66

Polar Surface Area

28.103

Acid Dissociation Constant (pKa)

13.41

Base Dissociation Constant (pKb)

7.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

7894-5364 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Nervous system
Targets:
  • GPCR
  • GPCR
  • Ion Channels
  • Others
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 7894-5364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7894-5364?
Check Price and Availability of 7894-5364, 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 7894-5364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7894-5364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7894-5364
  • 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 7894-5364 available by request