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LY2048978

CAT: 0013-GTR19199985-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199985-02Size:50 mg
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Description
LY2048978 is a potent, orally bioavailable kappa opioid receptor antagonist. Its efficacy in preclinical models of mood and addiction disorders supports its use as a research tool for investigating neuropsychiatric conditions in both in vitro and in vivo experimental systems.
CAS Number
676495-11-7
Field of Research
Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Smiles
O (C1=CC=C (C (N) =O) C=C1) C2=CC=C (CNCCCCC) C=C2
Molecular Formula
C19H24N2O2
Molecular Weight
312.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-[4-[(Pentylamino)methyl]phenoxy]benzamide
CAS Number676495-11-7
PubChem CID68749538
IUPAC Name4-[4-[(pentylamino)methyl]phenoxy]benzamide
Molecular FormulaC19H24N2O2
Molecular Weight312.4
XLogP3.5
Topological Polar Surface Area64.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count23
Formal Charge0
Complexity332
SMILES
CCCCCNCC1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)N
InChI
InChI=1S/C19H24N2O2/c1-2-3-4-13-21-14-15-5-9-17(10-6-15)23-18-11-7-16(8-12-18)19(20)22/h5-12,21H,2-4,13-14H2,1H3,(H2,20,22)
InChIKey
RJMQAVZPAFHQLE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[4-[(Pentylamino)methyl]phenoxy]benzamide
CAS: 676495-11-7
CID: 68749538
Formula: C19H24N2O2
MW: 312.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.4
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass312.183778013
Monoisotopic Mass312.183778013
Topological Polar Surface Area64.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity332
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-118615LY2048978

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