S236-0126 Screening compound: N-(2-methoxyethyl)-1,4-diazaspiro[bicyclo[3.2.1]octane-2,4'-piperidin]-3-en-3-amine

S236-0126 Screening compound: N-(2-methoxyethyl)-1,4-diazaspiro[bicyclo[3.2.1]octane-2,4'-piperidin]-3-en-3-amine
S236-0126 Screening compound: N-(2-methoxyethyl)-1,4-diazaspiro[bicyclo[3.2.1]octane-2,4'-piperidin]-3-en-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S236-0126
N-(2-methoxyethyl)-1,4-diazaspiro[bicyclo[3.2.1]octane-2,4'-piperidin]-3-en-3-amine

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

S236-0126

Molecular Formula

C13H24N4O (C13 H24 N4 O)

Compound Name

N-(2-methoxyethyl)-1,4-diazaspiro[bicyclo[3.2.1]octane-2,4'-piperidin]-3-en-3-amine

IUPAC name

N-(2-methoxyethyl)-14-diazaspiro[bicyclo[3.2.1]octane-24'-piperidin]-3-en-3-amine

SMILES

COCCNC1=NC(CC2)CN2C11CCNCC1

InChI

InChI=1S/C13H25N4O/c1-18-9-7-15-12-13(3-5-14-6-4-13)17-8-2-11(10-17)16-12/h11,14,17H,2-10H2,1H3,(H,15,16)

InChI Key

MFINKOWFTWXXMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28897608

Chemical and Physical Properties

Saltdata

3HCl

Molecular Weight

252.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.382

Distribution Coefficient, logD

-4.350

Water Solubility, LogSw

-0.64

Polar Surface Area

44.606

Acid Dissociation Constant (pKa)

16.40

Base Dissociation Constant (pKb)

11.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

92.31

S236-0126 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

TLR-8 ligands Library (674 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Female
  • Skin
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with S236-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S236-0126?
Check Price and Availability of S236-0126, 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 S236-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S236-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S236-0126
  • 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 S236-0126 available by request