0798-0914 Screening compound: N-({2-[2-(morpholin-4-yl)acetyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)cyclohexanecarboxamide

0798-0914 Screening compound: N-({2-[2-(morpholin-4-yl)acetyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)cyclohexanecarboxamide
0798-0914 Screening compound: N-({2-[2-(morpholin-4-yl)acetyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0798-0914
N-({2-[2-(morpholin-4-yl)acetyl]-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

0798-0914

Molecular Formula

C23H33N3O3 (C23 H33 N3 O3)

Compound Name

N-({2-[2-(morpholin-4-yl)acetyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methyl)cyclohexanecarboxamide

IUPAC name

N-({2-[2-(morpholin-4-yl)acetyl]-1234-tetrahydroisoquinolin-1-yl}methyl)cyclohexanecarboxamide

SMILES

O=C(CN1CCOCC1)N(CC1)C(CNC(C2CCCCC2)=O)c2c1cccc2

InChI

InChI=1S/C23H33N3O3/c27-22(17-25-12-14-29-15-13-25)26-11-10-18-6-4-5-9-20(18)21(26)16-24-23(28)19-7-2-1-3-8-19/h4-6,9,19,21H,1-3,7-8,10-17H2,(H,24,28)/t21-/m0/s1

InChI Key

ILIOLFTVDZBWQL-NRFANRHFSA-N

MDL Number (MFCD)

MFCD00220357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.370

Distribution Coefficient, logD

2.370

Water Solubility, LogSw

-2.67

Polar Surface Area

52.076

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.20

0798-0914 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

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

Frequent Hitters Library (7624 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 0798-0914 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0798-0914?
Check Price and Availability of 0798-0914, 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 0798-0914 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0798-0914
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0798-0914
  • 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 0798-0914 available by request