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SMI481

CAT: 1410-M27830-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M27830-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SMI481 is the first small-molecule Sec14-like phosphatidylinositol transfer proteins (PITPs) inhibitor.
CAS Number
432020-20-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
363.77
Molecular Formula
C17H15ClFN3O3
Notes
Research use only, not for human use.
Receptor
PAR-2

Chemical Information

(4-Chloro-3-nitrophenyl)(4-(2-fluorophenyl)piperazin-1-yl)methanone
CAS Number432020-20-7
PubChem CID1334619
IUPAC Name(4-chloro-3-nitrophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
Molecular FormulaC17H15ClFN3O3
Molecular Weight363.8
XLogP3.5
Topological Polar Surface Area69.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity496
SMILES
C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]
InChI
InChI=1S/C17H15ClFN3O3/c18-13-6-5-12(11-16(13)22(24)25)17(23)21-9-7-20(8-10-21)15-4-2-1-3-14(15)19/h1-6,11H,7-10H2
InChIKey
LSPJXCGEFJDMHA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-Chloro-3-nitrophenyl)(4-(2-fluorophenyl)piperazin-1-yl)methanone
CAS: 432020-20-7
CID: 1334619
Formula: C17H15ClFN3O3
MW: 363.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight363.8
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass363.0785972
Monoisotopic Mass363.0785972
Topological Polar Surface Area69.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity496
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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