S233-0758 Screening compound: 4a-(aminomethyl)-1-(2-methoxyethyl)-octahydro-1H-cyclopenta[b]pyridin-2-one

S233-0758 Screening compound: 4a-(aminomethyl)-1-(2-methoxyethyl)-octahydro-1H-cyclopenta[b]pyridin-2-one
S233-0758 Screening compound: 4a-(aminomethyl)-1-(2-methoxyethyl)-octahydro-1H-cyclopenta[b]pyridin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S233-0758
4a-(aminomethyl)-1-(2-methoxyethyl)-octahydro-1H-cyclopenta[b]pyridin-2-one

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

S233-0758

Molecular Formula

C12H22N2O2 (C12 H22 N2 O2)

Compound Name

4a-(aminomethyl)-1-(2-methoxyethyl)-octahydro-1H-cyclopenta[b]pyridin-2-one

IUPAC name

(4aS7aR)-4a-(aminomethyl)-1-(2-methoxyethyl)-octahydro-1H-cyclopenta[b]pyridin-2-one

SMILES

COCCN([C@H](CCC1)[C@]1(CN)CC1)C1=O

InChI

InChI=1S/C12H22N2O2/c1-16-8-7-14-10-3-2-5-12(10,9-13)6-4-11(14)15/h10H,2-9,13H2,1H3/t10-,12+/m1/s1

InChI Key

UGGZSYKPXKMMIO-PWSUYJOCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

226.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

-0.394

Distribution Coefficient, logD

-2.097

Water Solubility, LogSw

0.24

Polar Surface Area

46.783

Acid Dissociation Constant (pKa)

23.71

Base Dissociation Constant (pKb)

9.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

91.70

S233-0758 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S233-0758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S233-0758?
Check Price and Availability of S233-0758, 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 S233-0758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S233-0758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S233-0758
  • 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 S233-0758 available by request