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SB408124

CAT: 0607-B2163-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-B2163-25Size:25 mg
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Description
OX(1)receptor antagonist
CAS Number
288150-92-5
Product Name Alternative
1-(6,8-difluoro-2-methylquinolin-4-yl)-3-[4-(dimethylamino)phenyl]urea
Field of Research
GPCR G protein OX Receptor
Purity
0.9985
Form
A solid
Solubility
insoluble in H2O; ≥1.76 mg/mL in EtOH with gentle warming and ultrasonic; ≥35.4 mg/mL in DMSO with gentle warming
Smiles
CC1=NC2=C(C=C(C=C2C(=C1)NC(=O)NC3=CC=C(C=C3)N(C)C)F)F
Molecular Formula
C19H18F2N4O
Molecular Weight
356.38
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

SB-408124

1-(6,8-difluoro-2-methyl-4-quinolinyl)-3-[4-(dimethylamino)phenyl]urea is an organohalogen compound and a member of quinolines.

CAS Number288150-92-5
PubChem CID4331799
IUPAC Name1-(6,8-difluoro-2-methylquinolin-4-yl)-3-[4-(dimethylamino)phenyl]urea
Molecular FormulaC19H18F2N4O
Molecular Weight356.4
XLogP3.5
Topological Polar Surface Area57.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity484
SMILES
CC1=CC(=C2C=C(C=C(C2=N1)F)F)NC(=O)NC3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C19H18F2N4O/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)
InChIKey
JTARFZSNUAGHRB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SB-408124
CAS: 288150-92-5
CID: 4331799
Formula: C19H18F2N4O
MW: 356.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.4
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass356.14486753
Monoisotopic Mass356.14486753
Topological Polar Surface Area57.3 Ų
Heavy Atom Count26
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 Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3607459-01SB408124

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