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E, E-RAMB4

CAT: 1410-M33081-01Size: 1 EachDry Ice: NoHazardous: No
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Description
PTP1B-IN-8 is a potent and selective inhibitor of protein tyrosine phosphatase-1B (PTP1B) .
CAS Number
919091-61-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
413.12
Molecular Formula
C19H13Cl4NO
Notes
Research use only, not for human use.
Receptor
Phosphatase

Chemical Information

3,5-Bis(3,4-dichlorobenzylidene)piperidin-4-one
CAS Number919091-61-5
PubChem CID5388806
IUPAC Name(3E,5E)-3,5-bis[(3,4-dichlorophenyl)methylidene]piperidin-4-one
Molecular FormulaC19H13Cl4NO
Molecular Weight413.1
XLogP5.7
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity516
SMILES
C\1NC/C(=C\C2=CC(=C(C=C2)Cl)Cl)/C(=O)/C1=C/C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C19H13Cl4NO/c20-15-3-1-11(7-17(15)22)5-13-9-24-10-14(19(13)25)6-12-2-4-16(21)18(23)8-12/h1-8,24H,9-10H2/b13-5+,14-6+
InChIKey
GJPXGFGIFQWUOC-ACFHMISVSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Bis(3,4-dichlorobenzylidene)piperidin-4-one
CAS: 919091-61-5
CID: 5388806
Formula: C19H13Cl4NO
MW: 413.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.1
XLogP35.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass412.972175
Monoisotopic Mass410.975125
Topological Polar Surface Area29.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity516
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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