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LY2048978

CAT: 0931-T24420-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T24420-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
676495-11-7
Target
Opioid Receptor, Others
Related Pathways
GPCR/G Protein, Neuroscience, Others, Endocrinology/Hormones
Bioactivity
LY2048978 is an effective and orally-bioavailable antagonist of kappa-selective. It has activity in animal models predictive of efficacy in mood and addictive disorders.
Smiles
O(C1=CC=C(C(N)=O)C=C1)C2=CC=C(CNCCCCC)C=C2
Molecular Formula
C19H24N2O2
Molecular Weight
312.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
Loading 3D structure...
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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