S233-0719 Screening compound: N-{[1-(2-methoxyethyl)-2-oxo-octahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl}-2-phenylacetamide

S233-0719 Screening compound: N-{[1-(2-methoxyethyl)-2-oxo-octahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl}-2-phenylacetamide
S233-0719 Screening compound: N-{[1-(2-methoxyethyl)-2-oxo-octahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl}-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S233-0719
N-{[1-(2-methoxyethyl)-2-oxo-octahydro-1H-cyclopenta[b]pyridin-4a-yl]methyl}-2-phenylacetamide

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

S233-0719

Molecular Formula

C20H28N2O3 (C20 H28 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

COCCN([C@H](CCC1)[C@]1(CNC(Cc1ccccc1)=O)CC1)C1=O

InChI

InChI=1S/C20H28N2O3/c1-25-13-12-22-17-8-5-10-20(17,11-9-19(22)24)15-21-18(23)14-16-6-3-2-4-7-16/h2-4,6-7,17H,5,8-15H2,1H3,(H,21,23)/t17-,20+/m1/s1

InChI Key

QLLQIPBQQQYLMF-XLIONFOSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.756

Distribution Coefficient, logD

1.756

Water Solubility, LogSw

-1.96

Polar Surface Area

49.323

Acid Dissociation Constant (pKa)

13.91

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.00

S233-0719 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S233-0719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S233-0719?
Check Price and Availability of S233-0719, 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 S233-0719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S233-0719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S233-0719
  • 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 S233-0719 available by request