SB48-0565 Screening compound: {(1R,5S)-3-[(1-methyl-4-piperidyl)oxy]-8-azabicyclo[3.2.1]oct-8-yl}(1-phenylcyclopropyl)methanone

SB48-0565 Screening compound: {(1R,5S)-3-[(1-methyl-4-piperidyl)oxy]-8-azabicyclo[3.2.1]oct-8-yl}(1-phenylcyclopropyl)methanone
SB48-0565 Screening compound: {(1R,5S)-3-[(1-methyl-4-piperidyl)oxy]-8-azabicyclo[3.2.1]oct-8-yl}(1-phenylcyclopropyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB48-0565
{(1R,5S)-3-[(1-methyl-4-piperidyl)oxy]-8-azabicyclo[3.2.1]oct-8-yl}(1-phenylcyclopropyl)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

SB48-0565

Molecular Formula

C23H32N2O2 (C23 H32 N2 O2)

Compound Name

{(1R,5S)-3-[(1-methyl-4-piperidyl)oxy]-8-azabicyclo[3.2.1]oct-8-yl}(1-phenylcyclopropyl)methanone

IUPAC name

(1R5S)-3-[(1-methylpiperidin-4-yl)oxy]-8-(1-phenylcyclopropanecarbonyl)-8-azabicyclo[3.2.1]octane

SMILES

CN(CC1)CCC1OC(C[C@H]1CC2)C[C@H]2N1C(C1(CC1)c1ccccc1)=O

InChI

InChI=1S/C23H32N2O2/c1-24-13-9-20(10-14-24)27-21-15-18-7-8-19(16-21)25(18)22(26)23(11-12-23)17-5-3-2-4-6-17/h2-6,18-21H,7-16H2,1H3/t18-,19+,21?

InChI Key

QDWRBKGNEORXLZ-PMSBKCLSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.929

Distribution Coefficient, logD

-1.367

Water Solubility, LogSw

-1.53

Polar Surface Area

25.455

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

9.69

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

69.57

SB48-0565 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SB48-0565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB48-0565?
Check Price and Availability of SB48-0565, 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 SB48-0565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB48-0565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB48-0565
  • 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 SB48-0565 available by request