CM3900-5981 Screening compound: N-propyl-9-(1,2,3,4-tetrahydroisoquinolin-2-yl)-3-azaspiro[5.5]undecane-3-carboxamide

CM3900-5981 Screening compound: N-propyl-9-(1,2,3,4-tetrahydroisoquinolin-2-yl)-3-azaspiro[5.5]undecane-3-carboxamide
CM3900-5981 Screening compound: N-propyl-9-(1,2,3,4-tetrahydroisoquinolin-2-yl)-3-azaspiro[5.5]undecane-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM3900-5981
N-propyl-9-(1,2,3,4-tetrahydroisoquinolin-2-yl)-3-azaspiro[5.5]undecane-3-carboxamide

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

CM3900-5981

Molecular Formula

C23H35N3O (C23 H35 N3 O)

Compound Name

N-propyl-9-(1,2,3,4-tetrahydroisoquinolin-2-yl)-3-azaspiro[5.5]undecane-3-carboxamide

IUPAC name

N-propyl-9-(1234-tetrahydroisoquinolin-2-yl)-3-azaspiro[5.5]undecane-3-carboxamide

SMILES

CCCNC(N1CCC(CC2)(CCC2N(CC2)Cc3c2cccc3)CC1)=O

InChI

InChI=1S/C23H35N3O/c1-2-14-24-22(27)25-16-12-23(13-17-25)10-7-21(8-11-23)26-15-9-19-5-3-4-6-20(19)18-26/h3-6,21H,2,7-18H2,1H3,(H,24,27)

InChI Key

UCFTZLMBZRKOHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30465450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.724

Distribution Coefficient, logD

3.147

Water Solubility, LogSw

-3.74

Polar Surface Area

29.819

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.57

CM3900-5981 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Cyclic compounds
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with CM3900-5981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM3900-5981?
Check Price and Availability of CM3900-5981, 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 CM3900-5981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM3900-5981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM3900-5981
  • 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 CM3900-5981 available by request