SB48-0156 Screening compound: 4-{[(1R,5S)-8-acetyl-8-azabicyclo[3.2.1]oct-3-yl]oxy}-N~1~-phenethyltetrahydro-1(2H)-pyridinecarboxamide

SB48-0156 Screening compound: 4-{[(1R,5S)-8-acetyl-8-azabicyclo[3.2.1]oct-3-yl]oxy}-N~1~-phenethyltetrahydro-1(2H)-pyridinecarboxamide
SB48-0156 Screening compound: 4-{[(1R,5S)-8-acetyl-8-azabicyclo[3.2.1]oct-3-yl]oxy}-N~1~-phenethyltetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB48-0156
4-{[(1R,5S)-8-acetyl-8-azabicyclo[3.2.1]oct-3-yl]oxy}-N~1~-phenethyltetrahydro-1(2H)-pyridinecarboxamide

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

SB48-0156

Molecular Formula

C23H33N3O3 (C23 H33 N3 O3)

Compound Name

4-{[(1R,5S)-8-acetyl-8-azabicyclo[3.2.1]oct-3-yl]oxy}-N~1~-phenethyltetrahydro-1(2H)-pyridinecarboxamide

IUPAC name

4-{[(1R5S)-8-acetyl-8-azabicyclo[3.2.1]octan-3-yl]oxy}-N-(2-phenylethyl)piperidine-1-carboxamide

SMILES

CC(N([C@H](CC1)C2)[C@@H]1CC2OC(CC1)CCN1C(NCCc1ccccc1)=O)=O

InChI

InChI=1S/C23H33N3O3/c1-17(27)26-19-7-8-20(26)16-22(15-19)29-21-10-13-25(14-11-21)23(28)24-12-9-18-5-3-2-4-6-18/h2-6,19-22H,7-16H2,1H3,(H,24,28)/t19-,20-/m0/s1

InChI Key

OLSFJDLUDMVWLK-PMACEKPBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.764

Distribution Coefficient, logD

0.764

Water Solubility, LogSw

-1.71

Polar Surface Area

48.906

Acid Dissociation Constant (pKa)

15.89

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

65.22

SB48-0156 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB48-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB48-0156?
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What is the minimum amount of SB48-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB48-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB48-0156
  • 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 SB48-0156 available by request