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SRPIN340

CAT: 0572-TRC-S684523-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-S684523-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
218156-96-8
Synonyms
SRPIN340
Hazard Statement
No Data Available
Smiles
FC(F)(F)c1ccc(N2CCCCC2)c(NC(=O)c3ccncc3)c1
Molecular Formula
C18 H18 F3 N3 O
Molecular Weight
349.35
InChI
InChI=1S/C18H18F3N3O/c19-18(20,21)14-4-5-16(24-10-2-1-3-11-24)15(12-14)23-17(25)13-6-8-22-9-7-13/h4-9,12H,1-3,10-11H2,(H,23,25)
Additionnal Information
IUPAC name: N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
Shipping Conditions
Room Temperature

Chemical Information

Srpin340

Serine-Arginine-Rich Protein Kinase Inhibitor

CAS Number218156-96-8
PubChem CID2797577
IUPAC NameN-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
Molecular FormulaC18H18F3N3O
Molecular Weight349.3
XLogP3.5
Topological Polar Surface Area45.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity445
SMILES
C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC=NC=C3
InChI
InChI=1S/C18H18F3N3O/c19-18(20,21)14-4-5-16(24-10-2-1-3-11-24)15(12-14)23-17(25)13-6-8-22-9-7-13/h4-9,12H,1-3,10-11H2,(H,23,25)
InChIKey
DWFGGOFPIISJIT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Srpin340
CAS: 218156-96-8
CID: 2797577
Formula: C18H18F3N3O
MW: 349.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight349.3
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass349.14019669
Monoisotopic Mass349.14019669
Topological Polar Surface Area45.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity445
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
2458-5SRPIN340

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