SB48-0583 Screening compound: 2-(3,5-dimethyl-4-isoxazolyl)-1-{(1R,5S)-3-[(1-isobutyl-4-piperidyl)oxy]-8-azabicyclo[3.2.1]oct-8-yl}-1-ethanone

SB48-0583 Screening compound: 2-(3,5-dimethyl-4-isoxazolyl)-1-{(1R,5S)-3-[(1-isobutyl-4-piperidyl)oxy]-8-azabicyclo[3.2.1]oct-8-yl}-1-ethanone
SB48-0583 Screening compound: 2-(3,5-dimethyl-4-isoxazolyl)-1-{(1R,5S)-3-[(1-isobutyl-4-piperidyl)oxy]-8-azabicyclo[3.2.1]oct-8-yl}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB48-0583
2-(3,5-dimethyl-4-isoxazolyl)-1-{(1R,5S)-3-[(1-isobutyl-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

SB48-0583

Molecular Formula

C23H37N3O3 (C23 H37 N3 O3)

Compound Name

2-(3,5-dimethyl-4-isoxazolyl)-1-{(1R,5S)-3-[(1-isobutyl-4-piperidyl)oxy]-8-azabicyclo[3.2.1]oct-8-yl}-1-ethanone

IUPAC name

2-(35-dimethyl-12-oxazol-4-yl)-1-[(1R5S)-3-{[1-(2-methylpropyl)piperidin-4-yl]oxy}-8-azabicyclo[3.2.1]octan-8-yl]ethan-1-one

SMILES

CC(C)CN(CC1)CCC1OC(C[C@H]1CC2)C[C@H]2N1C(Cc1c(C)onc1C)=O

InChI

InChI=1S/C23H37N3O3/c1-15(2)14-25-9-7-20(8-10-25)28-21-11-18-5-6-19(12-21)26(18)23(27)13-22-16(3)24-29-17(22)4/h15,18-21H,5-14H2,1-4H3/t18-,19+,21?

InChI Key

YYRCDZRPNWPXOA-PMSBKCLSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.430

Distribution Coefficient, logD

-1.056

Water Solubility, LogSw

-1.32

Polar Surface Area

47.049

Acid Dissociation Constant (pKa)

15.34

Base Dissociation Constant (pKb)

9.88

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

82.61

SB48-0583 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SB48-0583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB48-0583?
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What is the minimum amount of SB48-0583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB48-0583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB48-0583
  • 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 SB48-0583 available by request