SB48-0211 Screening compound: (4-{[(1R,5S)-8-(methylsulfonyl)-8-azabicyclo[3.2.1]oct-3-yl]oxy}piperidino)(3-thienyl)methanone

SB48-0211 Screening compound: (4-{[(1R,5S)-8-(methylsulfonyl)-8-azabicyclo[3.2.1]oct-3-yl]oxy}piperidino)(3-thienyl)methanone
SB48-0211 Screening compound: (4-{[(1R,5S)-8-(methylsulfonyl)-8-azabicyclo[3.2.1]oct-3-yl]oxy}piperidino)(3-thienyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB48-0211
(4-{[(1R,5S)-8-(methylsulfonyl)-8-azabicyclo[3.2.1]oct-3-yl]oxy}piperidino)(3-thienyl)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

SB48-0211

Molecular Formula

C18H26N2O4S2 (C18 H26 N2 O4 S2)

Compound Name

(4-{[(1R,5S)-8-(methylsulfonyl)-8-azabicyclo[3.2.1]oct-3-yl]oxy}piperidino)(3-thienyl)methanone

IUPAC name

(1R5S)-8-methanesulfonyl-3-{[1-(thiophene-3-carbonyl)piperidin-4-yl]oxy}-8-azabicyclo[3.2.1]octane

SMILES

CS(N([C@H](CC1)C2)[C@@H]1CC2OC(CC1)CCN1C(c1cscc1)=O)(=O)=O

InChI

InChI=1S/C18H26N2O4S2/c1-26(22,23)20-14-2-3-15(20)11-17(10-14)24-16-4-7-19(8-5-16)18(21)13-6-9-25-12-13/h6,9,12,14-17H,2-5,7-8,10-11H2,1H3/t14-,15+,17?

InChI Key

FLBNCEZCVZVMMR-FKEKPDDDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.138

Distribution Coefficient, logD

0.138

Water Solubility, LogSw

-2.02

Polar Surface Area

55.581

Acid Dissociation Constant (pKa)

25.09

Base Dissociation Constant (pKb)

-2.31

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

72.22

SB48-0211 in Drug Discovery

Included in Screening Libraries

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 SB48-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB48-0211?
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What is the minimum amount of SB48-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB48-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB48-0211
  • 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 SB48-0211 available by request