SB48-0188 Screening compound: (1-methyl-1H-pyrazol-4-yl)(4-{[(1R,5S)-8-(methylsulfonyl)-8-azabicyclo[3.2.1]oct-3-yl]oxy}piperidino)methanone

SB48-0188 Screening compound: (1-methyl-1H-pyrazol-4-yl)(4-{[(1R,5S)-8-(methylsulfonyl)-8-azabicyclo[3.2.1]oct-3-yl]oxy}piperidino)methanone
SB48-0188 Screening compound: (1-methyl-1H-pyrazol-4-yl)(4-{[(1R,5S)-8-(methylsulfonyl)-8-azabicyclo[3.2.1]oct-3-yl]oxy}piperidino)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB48-0188
(1-methyl-1H-pyrazol-4-yl)(4-{[(1R,5S)-8-(methylsulfonyl)-8-azabicyclo[3.2.1]oct-3-yl]oxy}piperidino)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

SB48-0188

Molecular Formula

C18H28N4O4S (C18 H28 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cn1ncc(C(N(CC2)CCC2OC(C[C@H]2CC3)C[C@H]3N2S(C)(=O)=O)=O)c1

InChI

InChI=1S/C18H28N4O4S/c1-20-12-13(11-19-20)18(23)21-7-5-16(6-8-21)26-17-9-14-3-4-15(10-17)22(14)27(2,24)25/h11-12,14-17H,3-10H2,1-2H3/t14-,15+,17?

InChI Key

JCKHTCNBLHWPEA-FKEKPDDDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-1.379

Distribution Coefficient, logD

-1.379

Water Solubility, LogSw

-1.13

Polar Surface Area

69.372

Acid Dissociation Constant (pKa)

25.09

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

77.78

SB48-0188 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 SB48-0188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB48-0188?
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What is the minimum amount of SB48-0188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB48-0188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB48-0188
  • 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 SB48-0188 available by request