S233-0069 Screening compound: N~1~-{[(7aR)-1-methyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4-yl]methyl}-2-(3-thienyl)acetamide

S233-0069 Screening compound: N~1~-{[(7aR)-1-methyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4-yl]methyl}-2-(3-thienyl)acetamide
S233-0069 Screening compound: N~1~-{[(7aR)-1-methyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4-yl]methyl}-2-(3-thienyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S233-0069
N~1~-{[(7aR)-1-methyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4-yl]methyl}-2-(3-thienyl)acetamide

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

S233-0069

Molecular Formula

C16H22N2O2S (C16 H22 N2 O2 S)

Compound Name

N~1~-{[(7aR)-1-methyl-2-oxooctahydro-4aH-cyclopenta[b]pyridin-4-yl]methyl}-2-(3-thienyl)acetamide

IUPAC name

n/a

SMILES

CN([C@H](CCC1)[C@]1(CNC(Cc1cscc1)=O)CC1)C1=O

InChI

InChI=1S/C16H22N2O2S/c1-18-13-3-2-6-16(13,7-4-15(18)20)11-17-14(19)9-12-5-8-21-10-12/h5,8,10,13H,2-4,6-7,9,11H2,1H3,(H,17,19)/t13-,16+/m1/s1

InChI Key

JZYPYOHJRPQKGZ-CJNGLKHVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.273

Distribution Coefficient, logD

1.273

Water Solubility, LogSw

-2.17

Polar Surface Area

41.786

Acid Dissociation Constant (pKa)

14.10

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

62.50

S233-0069 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S233-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S233-0069?
Check Price and Availability of S233-0069, 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 S233-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S233-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S233-0069
  • 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 S233-0069 available by request