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SLF1081851 hydrochloride

CAT: 1568-C01950-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C01950-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2999629-35-3
SKU
C01950-5mg
Target
S1P Receptor
Applications
GPCR & G Protein
Additionnal Information
SLF1081851 hydrochloride is a potential inhibitor of Spns2 that blocks S1P release with an IC50 of 1.93 μM. It can be developed as a probe for studying Spns2 biology and immune modulation.

Chemical Information

SLF1081851 hydrochloride
CAS Number2999629-35-3
PubChem CID164946799
IUPAC Name3-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine;hydrochloride
Molecular FormulaC21H34ClN3O
Molecular Weight380.0
Topological Polar Surface Area64.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Heavy Atom Count26
Formal Charge0
Complexity318
SMILES
CCCCCCCCCCC1=CC=C(C=C1)C2=NOC(=N2)CCCN.Cl
InChI
InChI=1S/C21H33N3O.ClH/c1-2-3-4-5-6-7-8-9-11-18-13-15-19(16-14-18)21-23-20(25-24-21)12-10-17-22;/h13-16H,2-12,17,22H2,1H3;1H
InChIKey
ZJJXKBLUUGLWDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SLF1081851 hydrochloride
CAS: 2999629-35-3
CID: 164946799
Formula: C21H34ClN3O
MW: 380.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Exact Mass379.2390404
Monoisotopic Mass379.2390404
Topological Polar Surface Area64.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity318
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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