SB48-0329 Screening compound: 2-methoxy-1-((1R,5S)-3-{[1-[2-(2-thienyl)acetyl]tetrahydro-4(2H)-pyridinyl]oxy}-8-azabicyclo[3.2.1]oct-8-yl)-1-ethanone

SB48-0329 Screening compound: 2-methoxy-1-((1R,5S)-3-{[1-[2-(2-thienyl)acetyl]tetrahydro-4(2H)-pyridinyl]oxy}-8-azabicyclo[3.2.1]oct-8-yl)-1-ethanone
SB48-0329 Screening compound: 2-methoxy-1-((1R,5S)-3-{[1-[2-(2-thienyl)acetyl]tetrahydro-4(2H)-pyridinyl]oxy}-8-azabicyclo[3.2.1]oct-8-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB48-0329
2-methoxy-1-((1R,5S)-3-{[1-[2-(2-thienyl)acetyl]tetrahydro-4(2H)-pyridinyl]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

SB48-0329

Molecular Formula

C21H30N2O4S (C21 H30 N2 O4 S)

Compound Name

2-methoxy-1-((1R,5S)-3-{[1-[2-(2-thienyl)acetyl]tetrahydro-4(2H)-pyridinyl]oxy}-8-azabicyclo[3.2.1]oct-8-yl)-1-ethanone

IUPAC name

2-methoxy-1-[(1R5S)-3-({1-[2-(thiophen-2-yl)acetyl]piperidin-4-yl}oxy)-8-azabicyclo[3.2.1]octan-8-yl]ethan-1-one

SMILES

COCC(N([C@H](CC1)C2)[C@@H]1CC2OC(CC1)CCN1C(Cc1cccs1)=O)=O

InChI

InChI=1S/C21H30N2O4S/c1-26-14-21(25)23-15-4-5-16(23)12-18(11-15)27-17-6-8-22(9-7-17)20(24)13-19-3-2-10-28-19/h2-3,10,15-18H,4-9,11-14H2,1H3/t15-,16-/m0/s1

InChI Key

ICGXRDWZQLZNDP-HOTGVXAUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.167

Distribution Coefficient, logD

-0.167

Water Solubility, LogSw

-1.78

Polar Surface Area

46.842

Acid Dissociation Constant (pKa)

22.63

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

71.43

References: we are preparing a list of scientific research reports with SB48-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB48-0329?
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What is the minimum amount of SB48-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB48-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB48-0329
  • 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 SB48-0329 available by request