S233-0685 Screening compound: N-{[1-(2-methoxyethyl)-2-oxo-octahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl}cyclobutanecarboxamide

S233-0685 Screening compound: N-{[1-(2-methoxyethyl)-2-oxo-octahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl}cyclobutanecarboxamide
S233-0685 Screening compound: N-{[1-(2-methoxyethyl)-2-oxo-octahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl}cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S233-0685
N-{[1-(2-methoxyethyl)-2-oxo-octahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl}cyclobutanecarboxamide

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

S233-0685

Molecular Formula

C17H28N2O3 (C17 H28 N2 O3)

Compound Name

N-{[1-(2-methoxyethyl)-2-oxo-octahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl}cyclobutanecarboxamide

IUPAC name

N-{[(4aS7aR)-1-(2-methoxyethyl)-2-oxo-octahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl}cyclobutanecarboxamide

SMILES

COCCN([C@H](CCC1)[C@]1(CNC(C1CCC1)=O)CC1)C1=O

InChI

InChI=1S/C17H28N2O3/c1-22-11-10-19-14-6-3-8-17(14,9-7-15(19)20)12-18-16(21)13-4-2-5-13/h13-14H,2-12H2,1H3,(H,18,21)/t14-,17+/m1/s1

InChI Key

AXKVQOIUCWLXCA-PBHICJAKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.527

Distribution Coefficient, logD

0.527

Water Solubility, LogSw

-0.85

Polar Surface Area

50.059

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

88.24

S233-0685 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S233-0685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S233-0685?
Check Price and Availability of S233-0685, 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 S233-0685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S233-0685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S233-0685
  • 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 S233-0685 available by request