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PD0176078

CAT: 0013-GTR19205192-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205192-05Size:25 mg
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Description
PD0176078 is a novel, potent, and selective N-type calcium channel blocker. This compound is a valuable research tool for investigating pain pathways and neurological disorders in both in vitro electrophysiology studies and in vivo animal models of neuropathic pain.
CAS Number
248922-46-5
Product Name Alternative
PD 0176078, PD 176078, PD0176078, PD-0176078, PD176078, PD-176078, CalciumChannel, Calcium channel, Calcium Channel
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Purity
97.76% (May vary between batches)
Solubility
DMSO:50 mg/mL (128.7 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (5.15 mM)
Smiles
C (CCCNC ([C@H] (CC (C) C) NC) =O) (C1=CC=C (F) C=C1) C2=CC=C (F) C=C2
Molecular Formula
C23H30F2N2O
Molecular Weight
388.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2S)-N-[4,4-bis(4-fluorophenyl)butyl]-4-methyl-2-(methylamino)pentanamide
CAS Number248922-46-5
PubChem CID9823703
IUPAC Name(2S)-N-[4,4-bis(4-fluorophenyl)butyl]-4-methyl-2-(methylamino)pentanamide
Molecular FormulaC23H30F2N2O
Molecular Weight388.5
XLogP5.2
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count28
Formal Charge0
Complexity422
SMILES
CC(C)C[C@@H](C(=O)NCCCC(C1=CC=C(C=C1)F)C2=CC=C(C=C2)F)NC
InChI
InChI=1S/C23H30F2N2O/c1-16(2)15-22(26-3)23(28)27-14-4-5-21(17-6-10-19(24)11-7-17)18-8-12-20(25)13-9-18/h6-13,16,21-22,26H,4-5,14-15H2,1-3H3,(H,27,28)/t22-/m0/s1
InChIKey
QGJKMAIASNMXFI-QFIPXVFZSA-N
Chemical Structure
2D Structure
2D structure of (2S)-N-[4,4-bis(4-fluorophenyl)butyl]-4-methyl-2-(methylamino)pentanamide
CAS: 248922-46-5
CID: 9823703
Formula: C23H30F2N2O
MW: 388.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.5
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass388.23261991
Monoisotopic Mass388.23261991
Topological Polar Surface Area41.1 Ų
Heavy Atom Count28
Formal Charge0
Complexity422
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA6613-25PD0176078

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