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SB-334867 hydrochloride

CAT: 0607-B1281-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B1281-10Size:10 mg
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Description
Orexin-1 receptor antagonist
CAS Number
249889-64-3
Product Name Alternative
1-(2-methylbenzo[d]oxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea hydrochloride
Field of Research
GPCR G protein OX Receptor
Purity
0.9963
Form
A solid
Solubility
insoluble in H2O; ≥2.72 mg/mL in EtOH with ultrasonic; ≥5.2 mg/mL in DMSO with gentle warming
Smiles
O=C(NC1=CC=NC2=CC=CN=C12)NC3=CC=C4N=C(C)OC4=C3.Cl
Molecular Formula
C17H14ClN5O2
Molecular Weight
355.78
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

SB-334867

1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea is a naphthyridine derivative.

CAS Number249889-64-3
PubChem CID6604926
IUPAC Name1-(2-methyl-1,3-benzoxazol-6-yl)-3-(1,5-naphthyridin-4-yl)urea
Molecular FormulaC17H13N5O2
Molecular Weight319.32
XLogP2
Topological Polar Surface Area92.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity462
SMILES
CC1=NC2=C(O1)C=C(C=C2)NC(=O)NC3=C4C(=NC=C3)C=CC=N4
InChI
InChI=1S/C17H13N5O2/c1-10-20-12-5-4-11(9-15(12)24-10)21-17(23)22-14-6-8-18-13-3-2-7-19-16(13)14/h2-9H,1H3,(H2,18,21,22,23)
InChIKey
AKMNUCBQGHFICM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SB-334867
CAS: 249889-64-3
CID: 6604926
Formula: C17H13N5O2
MW: 319.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.32
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass319.10692467
Monoisotopic Mass319.10692467
Topological Polar Surface Area92.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity462
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

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