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NPY Y2 antagonist 1

CAT: 0804-HY-118198-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-118198-02Size:5 mg
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Description
NPY Y2 antagonist 1 (compound 36) is a pyridine-type, selective neuropeptide Y receptor (NPY) Y2 antagonist[1].
CAS Number
1185845-15-1
UNSPSC
12352005
Target
Neuropeptide Y Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/npy-y2-antagonist-1.html
Smiles
O=C(N1CCN(CC1)C2=CC=C(NC(C(C)(C)C3=CC=CC=C3)=O)C=C2Cl)C4=NC=CC=C4OC
Molecular Formula
C27H29ClN4O3
Molecular Weight
493.00
References & Citations
[1]The identification and optimisation of novel and selective diamide neuropeptide Y Y2 receptor antagonists
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Y2 Antagonist 36
CAS Number1185845-15-1
PubChem CID44249749
IUPAC NameN-[3-chloro-4-[4-(3-methoxypyridine-2-carbonyl)piperazin-1-yl]phenyl]-2-methyl-2-phenylpropanamide
Molecular FormulaC27H29ClN4O3
Molecular Weight493.0
XLogP4.5
Topological Polar Surface Area74.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity721
SMILES
CC(C)(C1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)C4=C(C=CC=N4)OC)Cl
InChI
InChI=1S/C27H29ClN4O3/c1-27(2,19-8-5-4-6-9-19)26(34)30-20-11-12-22(21(28)18-20)31-14-16-32(17-15-31)25(33)24-23(35-3)10-7-13-29-24/h4-13,18H,14-17H2,1-3H3,(H,30,34)
InChIKey
WIHRUDKZTYLJLT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Y2 Antagonist 36
CAS: 1185845-15-1
CID: 44249749
Formula: C27H29ClN4O3
MW: 493.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight493.0
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass492.1928185
Monoisotopic Mass492.1928185
Topological Polar Surface Area74.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity721
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

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