SB48-0545 Screening compound: (1R,5S)-8-[(2-ethylphenyl)sulfonyl]-3-[(1-methyl-4-piperidyl)oxy]-8-azabicyclo[3.2.1]octane

SB48-0545 Screening compound: (1R,5S)-8-[(2-ethylphenyl)sulfonyl]-3-[(1-methyl-4-piperidyl)oxy]-8-azabicyclo[3.2.1]octane
SB48-0545 Screening compound: (1R,5S)-8-[(2-ethylphenyl)sulfonyl]-3-[(1-methyl-4-piperidyl)oxy]-8-azabicyclo[3.2.1]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound SB48-0545
(1R,5S)-8-[(2-ethylphenyl)sulfonyl]-3-[(1-methyl-4-piperidyl)oxy]-8-azabicyclo[3.2.1]octane

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

SB48-0545

Molecular Formula

C21H32N2O3S (C21 H32 N2 O3 S)

Compound Name

(1R,5S)-8-[(2-ethylphenyl)sulfonyl]-3-[(1-methyl-4-piperidyl)oxy]-8-azabicyclo[3.2.1]octane

IUPAC name

(1R5S)-8-(2-ethylbenzenesulfonyl)-3-[(1-methylpiperidin-4-yl)oxy]-8-azabicyclo[3.2.1]octane

SMILES

CCc(cccc1)c1S(N([C@H](CC1)C2)[C@@H]1CC2OC1CCN(C)CC1)(=O)=O

InChI

InChI=1S/C21H32N2O3S/c1-3-16-6-4-5-7-21(16)27(24,25)23-17-8-9-18(23)15-20(14-17)26-19-10-12-22(2)13-11-19/h4-7,17-20H,3,8-15H2,1-2H3/t17-,18+,20?

InChI Key

BDHJZLCXFACUJK-UFRUDQCGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.430

Distribution Coefficient, logD

-0.866

Water Solubility, LogSw

-2.20

Polar Surface Area

41.819

Acid Dissociation Constant (pKa)

24.76

Base Dissociation Constant (pKb)

9.69

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

71.43

SB48-0545 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SB48-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB48-0545?
Check Price and Availability of SB48-0545, 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 SB48-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB48-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB48-0545
  • 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 SB48-0545 available by request