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JNJ 10397049

CAT: 0607-B5553-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-B5553-1Size:1 mg
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Description
OX2 receptor antagonist
CAS Number
708275-58-5
Product Name Alternative
1-(2,4-dibromophenyl)-3-((4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)urea
Field of Research
GPCR G protein OX Receptor
Purity
0.98
Form
A crystalline solid
Solubility
Soluble in DMSO
Smiles
BrC1=CC(Br)=CC=C1NC(N[C@@H]2[C@H](C3=CC=CC=C3)OC(C)(C)OC2)=O
Molecular Formula
C19H20Br2N2O3
Molecular Weight
484.18
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Jnj-10397049

a selective orexin receptor-2 antagonist

CAS Number708275-58-5
PubChem CID9869934
IUPAC Name1-(2,4-dibromophenyl)-3-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]urea
Molecular FormulaC19H20Br2N2O3
Molecular Weight484.2
XLogP4.1
Topological Polar Surface Area59.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity485
SMILES
CC1(OC[C@@H]([C@@H](O1)C2=CC=CC=C2)NC(=O)NC3=C(C=C(C=C3)Br)Br)C
InChI
InChI=1S/C19H20Br2N2O3/c1-19(2)25-11-16(17(26-19)12-6-4-3-5-7-12)23-18(24)22-15-9-8-13(20)10-14(15)21/h3-10,16-17H,11H2,1-2H3,(H2,22,23,24)/t16-,17-/m0/s1
InChIKey
RBKIJGLHFFQHBE-IRXDYDNUSA-N
Chemical Structure
2D Structure
2D structure of Jnj-10397049
CAS: 708275-58-5
CID: 9869934
Formula: C19H20Br2N2O3
MW: 484.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight484.2
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass483.98202
Monoisotopic Mass481.98407
Topological Polar Surface Area59.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity485
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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