0KPI-0116 Screening compound: 1-pyrrolidinyl(tricyclo[4.3.1.1~3,8~]undec-1-yl)methanone

0KPI-0116 Screening compound: 1-pyrrolidinyl(tricyclo[4.3.1.1~3,8~]undec-1-yl)methanone
0KPI-0116 Screening compound: 1-pyrrolidinyl(tricyclo[4.3.1.1~3,8~]undec-1-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 0KPI-0116
1-pyrrolidinyl(tricyclo[4.3.1.1~3,8~]undec-1-yl)methanone

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

0KPI-0116

Molecular Formula

C16H25NO (C16 H25 NO)

Compound Name

1-pyrrolidinyl(tricyclo[4.3.1.1~3,8~]undec-1-yl)methanone

IUPAC name

1-{tricyclo[4.3.1.1^{38}]undecane-1-carbonyl}pyrrolidine

SMILES

O=C(C1(CC(C2)C3)CC3CCC2C1)N1CCCC1

InChI

InChI=1S/C16H25NO/c18-15(17-5-1-2-6-17)16-9-12-3-4-13(10-16)8-14(7-12)11-16/h12-14H,1-11H2

InChI Key

WTEZNGNNKSPVCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00571702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

247.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.970

Distribution Coefficient, logD

3.970

Water Solubility, LogSw

-4.01

Polar Surface Area

17.617

Acid Dissociation Constant (pKa)

24.33

Base Dissociation Constant (pKb)

-1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

93.80

0KPI-0116 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

GPCR Targeted Library (31838 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0KPI-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0KPI-0116?
Check Price and Availability of 0KPI-0116, 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 0KPI-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0KPI-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0KPI-0116
  • 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 0KPI-0116 available by request