SB48-0435 Screening compound: (1R,5S)-3-({1-[2-(2-fluorophenyl)acetyl]-4-piperidyl}oxy)-N~8~,N~8~-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide

SB48-0435 Screening compound: (1R,5S)-3-({1-[2-(2-fluorophenyl)acetyl]-4-piperidyl}oxy)-N~8~,N~8~-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide
SB48-0435 Screening compound: (1R,5S)-3-({1-[2-(2-fluorophenyl)acetyl]-4-piperidyl}oxy)-N~8~,N~8~-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB48-0435
(1R,5S)-3-({1-[2-(2-fluorophenyl)acetyl]-4-piperidyl}oxy)-N~8~,N~8~-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide

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

SB48-0435

Molecular Formula

C23H32FN3O3 (C23 H32 FN3 O3)

Compound Name

(1R,5S)-3-({1-[2-(2-fluorophenyl)acetyl]-4-piperidyl}oxy)-N~8~,N~8~-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide

IUPAC name

(1R5S)-3-({1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl}oxy)-NN-dimethyl-8-azabicyclo[3.2.1]octane-8-carboxamide

SMILES

CN(C)C(N([C@H](CC1)C2)[C@@H]1CC2OC(CC1)CCN1C(Cc(cccc1)c1F)=O)=O

InChI

InChI=1S/C23H32FN3O3/c1-25(2)23(29)27-17-7-8-18(27)15-20(14-17)30-19-9-11-26(12-10-19)22(28)13-16-5-3-4-6-21(16)24/h3-6,17-20H,7-15H2,1-2H3/t17-,18-/m0/s1

InChI Key

RUBHMRVRJSSABS-ROUUACIJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.193

Distribution Coefficient, logD

1.193

Water Solubility, LogSw

-1.74

Polar Surface Area

38.813

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

65.22

SB48-0435 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB48-0435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB48-0435?
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What is the minimum amount of SB48-0435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB48-0435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB48-0435
  • 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 SB48-0435 available by request