SB48-0229 Screening compound: (1R,5S)-8-(methylsulfonyl)-3-({1-[4-(trifluoromethyl)benzyl]-4-piperidyl}oxy)-8-azabicyclo[3.2.1]octane

SB48-0229 Screening compound: (1R,5S)-8-(methylsulfonyl)-3-({1-[4-(trifluoromethyl)benzyl]-4-piperidyl}oxy)-8-azabicyclo[3.2.1]octane
SB48-0229 Screening compound: (1R,5S)-8-(methylsulfonyl)-3-({1-[4-(trifluoromethyl)benzyl]-4-piperidyl}oxy)-8-azabicyclo[3.2.1]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound SB48-0229
(1R,5S)-8-(methylsulfonyl)-3-({1-[4-(trifluoromethyl)benzyl]-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

SB48-0229

Molecular Formula

C21H29F3N2O3S (C21 H29 F3 N2 O3 S)

Compound Name

(1R,5S)-8-(methylsulfonyl)-3-({1-[4-(trifluoromethyl)benzyl]-4-piperidyl}oxy)-8-azabicyclo[3.2.1]octane

IUPAC name

(1R5S)-8-methanesulfonyl-3-[(1-{[4-(trifluoromethyl)phenyl]methyl}piperidin-4-yl)oxy]-8-azabicyclo[3.2.1]octane

SMILES

CS(N([C@H](CC1)C2)[C@@H]1CC2OC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)(=O)=O

InChI

InChI=1S/C21H29F3N2O3S/c1-30(27,28)26-17-6-7-18(26)13-20(12-17)29-19-8-10-25(11-9-19)14-15-2-4-16(5-3-15)21(22,23)24/h2-5,17-20H,6-14H2,1H3/t17-,18+,20?

InChI Key

VSOZAVFUDQMLLM-UFRUDQCGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.793

Distribution Coefficient, logD

-0.059

Water Solubility, LogSw

-2.45

Polar Surface Area

41.647

Acid Dissociation Constant (pKa)

25.09

Base Dissociation Constant (pKb)

9.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

71.43

SB48-0229 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SB48-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB48-0229?
Check Price and Availability of SB48-0229, 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 SB48-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB48-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB48-0229
  • 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 SB48-0229 available by request