SB48-0208 Screening compound: (1R,5S)-3-({1-[(6-methoxy-2-pyridyl)methyl]-4-piperidyl}oxy)-8-(methylsulfonyl)-8-azabicyclo[3.2.1]octane

SB48-0208 Screening compound: (1R,5S)-3-({1-[(6-methoxy-2-pyridyl)methyl]-4-piperidyl}oxy)-8-(methylsulfonyl)-8-azabicyclo[3.2.1]octane
SB48-0208 Screening compound: (1R,5S)-3-({1-[(6-methoxy-2-pyridyl)methyl]-4-piperidyl}oxy)-8-(methylsulfonyl)-8-azabicyclo[3.2.1]octane alternative view

Chemical Structure Depiction of ChemDiv screening compound SB48-0208
(1R,5S)-3-({1-[(6-methoxy-2-pyridyl)methyl]-4-piperidyl}oxy)-8-(methylsulfonyl)-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

SB48-0208

Molecular Formula

C20H31N3O4S (C20 H31 N3 O4 S)

Compound Name

(1R,5S)-3-({1-[(6-methoxy-2-pyridyl)methyl]-4-piperidyl}oxy)-8-(methylsulfonyl)-8-azabicyclo[3.2.1]octane

IUPAC name

(1R5S)-8-methanesulfonyl-3-({1-[(6-methoxypyridin-2-yl)methyl]piperidin-4-yl}oxy)-8-azabicyclo[3.2.1]octane

SMILES

COc1cccc(CN(CC2)CCC2OC(C[C@H]2CC3)C[C@H]3N2S(C)(=O)=O)n1

InChI

InChI=1S/C20H31N3O4S/c1-26-20-5-3-4-15(21-20)14-22-10-8-18(9-11-22)27-19-12-16-6-7-17(13-19)23(16)28(2,24)25/h3-5,16-19H,6-14H2,1-2H3/t16-,17+,19?

InChI Key

UCQWGNCCBWPQAC-JJTKIYQPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.629

Distribution Coefficient, logD

-1.412

Water Solubility, LogSw

-2.10

Polar Surface Area

58.203

Acid Dissociation Constant (pKa)

25.09

Base Dissociation Constant (pKb)

9.44

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

75.00

SB48-0208 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB48-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB48-0208?
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What is the minimum amount of SB48-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB48-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB48-0208
  • 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 SB48-0208 available by request