SB48-0126 Screening compound: 1-[(1R,5S)-3-({1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4-piperidyl}oxy)-8-azabicyclo[3.2.1]oct-8-yl]-1-ethanone

SB48-0126 Screening compound: 1-[(1R,5S)-3-({1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4-piperidyl}oxy)-8-azabicyclo[3.2.1]oct-8-yl]-1-ethanone
SB48-0126 Screening compound: 1-[(1R,5S)-3-({1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4-piperidyl}oxy)-8-azabicyclo[3.2.1]oct-8-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB48-0126
1-[(1R,5S)-3-({1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4-piperidyl}oxy)-8-azabicyclo[3.2.1]oct-8-yl]-1-ethanone

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

SB48-0126

Molecular Formula

C21H34N4O2 (C21 H34 N4 O2)

Compound Name

1-[(1R,5S)-3-({1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4-piperidyl}oxy)-8-azabicyclo[3.2.1]oct-8-yl]-1-ethanone

IUPAC name

1-[(1R5S)-3-({1-[(135-trimethyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}oxy)-8-azabicyclo[3.2.1]octan-8-yl]ethan-1-one

SMILES

CC(N([C@H](CC1)C2)[C@@H]1CC2OC1CCN(Cc2c(C)n(C)nc2C)CC1)=O

InChI

InChI=1S/C21H34N4O2/c1-14-21(15(2)23(4)22-14)13-24-9-7-19(8-10-24)27-20-11-17-5-6-18(12-20)25(17)16(3)26/h17-20H,5-13H2,1-4H3/t17-,18+,20?

InChI Key

LGLNQYJKLBCWDX-UFRUDQCGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.518

Distribution Coefficient, logD

-5.319

Water Solubility, LogSw

-0.04

Polar Surface Area

40.846

Acid Dissociation Constant (pKa)

25.07

Base Dissociation Constant (pKb)

12.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

80.95

SB48-0126 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SB48-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB48-0126?
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What is the minimum amount of SB48-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB48-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB48-0126
  • 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 SB48-0126 available by request