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SB-408124 Hydrochloride

CAT: 0013-GTR19204844-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204844-01Size:2 mg
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Description
SB-408124 Hydrochloride is a potent and selective non-peptide antagonist of the orexin receptor 1 (OX1), exhibiting Ki values of 57 nM and 27 nM in whole cell and membrane assays, respectively. It is widely used in neuroscience research to investigate orexin-mediated pathways in sleep, addiction, and feeding behaviors, both in vitro and in vivo.
CAS Number
1431697-90-3
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
Cl.CN (C) c1ccc (NC (=O) Nc2cc (C) nc3c (F) cc (F) cc23) cc1
Molecular Formula
C19H19ClF2N4O
Molecular Weight
392.83
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

SB-408124 Hydrochloride
CAS Number1431697-90-3
PubChem CID71576692
IUPAC Name1-(6,8-difluoro-2-methylquinolin-4-yl)-3-[4-(dimethylamino)phenyl]urea;hydrochloride
Molecular FormulaC19H19ClF2N4O
Molecular Weight392.8
Topological Polar Surface Area57.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity484
SMILES
CC1=CC(=C2C=C(C=C(C2=N1)F)F)NC(=O)NC3=CC=C(C=C3)N(C)C.Cl
InChI
InChI=1S/C19H18F2N4O.ClH/c1-11-8-17(15-9-12(20)10-16(21)18(15)22-11)24-19(26)23-13-4-6-14(7-5-13)25(2)3;/h4-10H,1-3H3,(H2,22,23,24,26);1H
InChIKey
DIHXPSGMLOETTI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SB-408124 Hydrochloride
CAS: 1431697-90-3
CID: 71576692
Formula: C19H19ClF2N4O
MW: 392.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass392.1215453
Monoisotopic Mass392.1215453
Topological Polar Surface Area57.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity484
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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