SB48-0104 Screening compound: 1-((1R,5S)-3-{[1-(1,3-oxazol-4-ylcarbonyl)-4-piperidyl]oxy}-8-azabicyclo[3.2.1]oct-8-yl)-1-ethanone

SB48-0104 Screening compound: 1-((1R,5S)-3-{[1-(1,3-oxazol-4-ylcarbonyl)-4-piperidyl]oxy}-8-azabicyclo[3.2.1]oct-8-yl)-1-ethanone
SB48-0104 Screening compound: 1-((1R,5S)-3-{[1-(1,3-oxazol-4-ylcarbonyl)-4-piperidyl]oxy}-8-azabicyclo[3.2.1]oct-8-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB48-0104
1-((1R,5S)-3-{[1-(1,3-oxazol-4-ylcarbonyl)-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

SB48-0104

Molecular Formula

C18H25N3O4 (C18 H25 N3 O4)

Compound Name

1-((1R,5S)-3-{[1-(1,3-oxazol-4-ylcarbonyl)-4-piperidyl]oxy}-8-azabicyclo[3.2.1]oct-8-yl)-1-ethanone

IUPAC name

1-[(1R5S)-3-{[1-(13-oxazole-4-carbonyl)piperidin-4-yl]oxy}-8-azabicyclo[3.2.1]octan-8-yl]ethan-1-one

SMILES

CC(N([C@H](CC1)C2)[C@@H]1CC2OC(CC1)CCN1C(c1cocn1)=O)=O

InChI

InChI=1S/C18H25N3O4/c1-12(22)21-13-2-3-14(21)9-16(8-13)25-15-4-6-20(7-5-15)18(23)17-10-24-11-19-17/h10-11,13-16H,2-9H2,1H3/t13-,14-/m0/s1

InChI Key

BNNXBDPFBLCOQV-KBPBESRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.932

Distribution Coefficient, logD

-0.932

Water Solubility, LogSw

-0.80

Polar Surface Area

56.251

Acid Dissociation Constant (pKa)

25.79

Base Dissociation Constant (pKb)

-2.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

72.22

References: we are preparing a list of scientific research reports with SB48-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB48-0104?
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What is the minimum amount of SB48-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB48-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB48-0104
  • 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 SB48-0104 available by request