S891-0281 Screening compound: 1-{4-hydroxy-octahydrocyclopenta[c]pyrrol-2-yl}-4-phenylbutan-1-one

S891-0281 Screening compound: 1-{4-hydroxy-octahydrocyclopenta[c]pyrrol-2-yl}-4-phenylbutan-1-one
S891-0281 Screening compound: 1-{4-hydroxy-octahydrocyclopenta[c]pyrrol-2-yl}-4-phenylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S891-0281
1-{4-hydroxy-octahydrocyclopenta[c]pyrrol-2-yl}-4-phenylbutan-1-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

S891-0281

Molecular Formula

C17H23NO2 (C17 H23 NO2)

Compound Name

1-{4-hydroxy-octahydrocyclopenta[c]pyrrol-2-yl}-4-phenylbutan-1-one

IUPAC name

1-[(3aR4R6aS)-4-hydroxy-octahydrocyclopenta[c]pyrrol-2-yl]-4-phenylbutan-1-one

SMILES

O[C@@H](CC1)[C@H](C2)[C@@H]1CN2C(CCCc1ccccc1)=O

InChI

InChI=1S/C17H23NO2/c19-16-10-9-14-11-18(12-15(14)16)17(20)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,14-16,19H,4,7-12H2/t14-,15+,16+/m1/s1

InChI Key

USHBKEVBNNAHQK-PMPSAXMXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.549

Distribution Coefficient, logD

2.549

Water Solubility, LogSw

-2.39

Polar Surface Area

32.495

Acid Dissociation Constant (pKa)

17.89

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

58.82

S891-0281 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Antibacterial Compounds Library (13827 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S891-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S891-0281?
Check Price and Availability of S891-0281, 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 S891-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S891-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S891-0281
  • 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 S891-0281 available by request