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OBPt-9

CAT: 0931-T202469-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T202469-02Size:50 mg
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CAS Number
1252017-64-3
Bioactivity
OBPt-9 is a compound that enhances orexin receptor activity, primarily by increasing the modulation of orexin signaling.
Smiles
N(CC1=CC(OC)=C(OC)C=C1)(CC2=CC=CC=C2)CC(N([C@H](C)C3=CC=CC=C3)CC(N)=O)=O
Molecular Formula
C28H33N3O4
Molecular Weight
475.58
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[[2-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]acetyl]-[(1R)-1-phenylethyl]amino]acetamide
CAS Number1252017-64-3
PubChem CID167312284
IUPAC Name2-[[2-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]acetyl]-[(1R)-1-phenylethyl]amino]acetamide
Molecular FormulaC28H33N3O4
Molecular Weight475.6
XLogP3.6
Topological Polar Surface Area85.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count35
Formal Charge0
Complexity648
SMILES
C[C@H](C1=CC=CC=C1)N(CC(=O)N)C(=O)CN(CC2=CC=CC=C2)CC3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C28H33N3O4/c1-21(24-12-8-5-9-13-24)31(19-27(29)32)28(33)20-30(17-22-10-6-4-7-11-22)18-23-14-15-25(34-2)26(16-23)35-3/h4-16,21H,17-20H2,1-3H3,(H2,29,32)/t21-/m1/s1
InChIKey
ZHSMPAUYHQWMBV-OAQYLSRUSA-N
Chemical Structure
2D Structure
2D structure of 2-[[2-[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]acetyl]-[(1R)-1-phenylethyl]amino]acetamide
CAS: 1252017-64-3
CID: 167312284
Formula: C28H33N3O4
MW: 475.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight475.6
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass475.24710654
Monoisotopic Mass475.24710654
Topological Polar Surface Area85.1 Ų
Heavy Atom Count35
Formal Charge0
Complexity648
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