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SB-408124 Hydrochloride

CAT: 0607-A3798-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0607-A3798-100Size:100 mg
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Description
OX1 receptor antagonist,selective and non-peptide
CAS Number
1431697-90-3
Product Name Alternative
(Z)-N'-(6,8-difluoro-2-methylquinolin-4-yl)-N-(4-(dimethylamino)phenyl)carbamimidic acid hydrochloride
Sequence
SB 408124 Hydrochloride;SB408124 Hydrochloride
Field of Research
GPCR G protein OX Receptor
Purity
0.98
Solubility
Soluble in DMSO
Smiles
CC1=CC(/N=C(O)/NC2=CC=C(N(C)C)C=C2)=C3C=C(F)C=C(F)C3=N1.Cl
Molecular Formula
C19H19ClF2N4O
Molecular Weight
392.83
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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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