0845-0950 Screening compound: N-[(1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]cyclohexanecarboxamide

0845-0950 Screening compound: N-[(1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]cyclohexanecarboxamide
0845-0950 Screening compound: N-[(1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0845-0950
N-[(1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]cyclohexanecarboxamide

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

0845-0950

Molecular Formula

C17H24N2O (C17 H24 N2 O)

Compound Name

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

IUPAC name

N-[(1234-tetrahydroisoquinolin-1-yl)methyl]cyclohexanecarboxamide

SMILES

O=C(C1CCCCC1)NCC1NCCc2c1cccc2

InChI

InChI=1S/C17H24N2O/c20-17(14-7-2-1-3-8-14)19-12-16-15-9-5-4-6-13(15)10-11-18-16/h4-6,9,14,16,18H,1-3,7-8,10-12H2,(H,19,20)/t16-/m0/s1

InChI Key

NZUKSVDRTKIQDY-INIZCTEOSA-N

MDL Number (MFCD)

MFCD00426718

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.545

Distribution Coefficient, logD

1.190

Water Solubility, LogSw

-2.69

Polar Surface Area

37.141

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

8.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.80

0845-0950 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Fragment Library (4274 compounds)

Human GPCR Annotated Library (5539 compounds)

Soluble Diversity Library (15920 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 0845-0950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0845-0950?
Check Price and Availability of 0845-0950, 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 0845-0950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0845-0950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0845-0950
  • 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 0845-0950 available by request