Products for Research Use Only

Orexin receptor activator-1

CAT: 0013-GTR19238655-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19238655-01Size:50 mg
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Description
Orexin Receptor Activator-1 is a small molecule agonist for the orexin receptor, used to study orexin-related disorders. It is a valuable tool for probing receptor function in both in vitro assays and in vivo models of sleep/wake regulation and metabolism.
CAS Number
3038645-77-8
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
[C@H] (CCOC) (N1C[C@H] (C (NCC2=CC=C (C=C2) C3=CC (OC) =CC (OC) =N3) =O) N (C (C (C) C) =O) [C@H] (C) C1) C4=C (F) C (C) =CC=N4
Molecular Formula
C34H44FN5O5
Molecular Weight
621.74
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2R,6R)-N-[[4-(4,6-dimethoxy-2-pyridinyl)phenyl]methyl]-4-[(1R)-1-(3-fluoro-4-methyl-2-pyridinyl)-3-methoxypropyl]-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
CAS Number3038645-77-8
PubChem CID171625917
IUPAC Name(2R,6R)-N-[[4-(4,6-dimethoxy-2-pyridinyl)phenyl]methyl]-4-[(1R)-1-(3-fluoro-4-methyl-2-pyridinyl)-3-methoxypropyl]-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
Molecular FormulaC34H44FN5O5
Molecular Weight621.7
XLogP3.9
Topological Polar Surface Area106
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Heavy Atom Count45
Formal Charge0
Complexity937
SMILES
C[C@@H]1CN(C[C@@H](N1C(=O)C(C)C)C(=O)NCC2=CC=C(C=C2)C3=NC(=CC(=C3)OC)OC)[C@H](CCOC)C4=NC=CC(=C4F)C
InChI
InChI=1S/C34H44FN5O5/c1-21(2)34(42)40-23(4)19-39(28(13-15-43-5)32-31(35)22(3)12-14-36-32)20-29(40)33(41)37-18-24-8-10-25(11-9-24)27-16-26(44-6)17-30(38-27)45-7/h8-12,14,16-17,21,23,28-29H,13,15,18-20H2,1-7H3,(H,37,41)/t23-,28-,29-/m1/s1
InChIKey
SQNCUANJFJRDLW-HCLMJZEPSA-N
Chemical Structure
2D Structure
2D structure of (2R,6R)-N-[[4-(4,6-dimethoxy-2-pyridinyl)phenyl]methyl]-4-[(1R)-1-(3-fluoro-4-methyl-2-pyridinyl)-3-methoxypropyl]-6-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
CAS: 3038645-77-8
CID: 171625917
Formula: C34H44FN5O5
MW: 621.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight621.7
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count12
Exact Mass621.33264768
Monoisotopic Mass621.33264768
Topological Polar Surface Area106 Ų
Heavy Atom Count45
Formal Charge0
Complexity937
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes