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PD318088

CAT: 1568-C16389-03Size: 200 mgDry Ice: YesHazardous: No
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CAT#:1568-C16389-03Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
391210-00-7
SKU
C16389-10mg
Target
MEK
Applications
Protein Tyrosine Kinase
Smiles
C1=CC (=C (C=C1I) F) NC2=C (C (=C (C=C2C (=O) NOCC (CO) O) Br) F) F
Molecular Formula
C16H13BrF3IN2O4
Additionnal Information
PD318088 is a non-ATP competitive allosteric MEK1/2 inhibitor, binds simultaneously with ATP in a region of the MEK1 active site that is adjacent to the ATP-binding site.
Storage Conditions
2 years -80 in solvent

Chemical Information

PD318088
CAS Number391210-00-7
PubChem CID10231331
IUPAC Name5-bromo-N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide
Molecular FormulaC16H13BrF3IN2O4
Molecular Weight561.09
XLogP3.7
Topological Polar Surface Area90.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity499
SMILES
C1=CC(=C(C=C1I)F)NC2=C(C(=C(C=C2C(=O)NOCC(CO)O)Br)F)F
InChI
InChI=1S/C16H13BrF3IN2O4/c17-10-4-9(16(26)23-27-6-8(25)5-24)15(14(20)13(10)19)22-12-2-1-7(21)3-11(12)18/h1-4,8,22,24-25H,5-6H2,(H,23,26)
InChIKey
XXSSGBYXSKOLAM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PD318088
CAS: 391210-00-7
CID: 10231331
Formula: C16H13BrF3IN2O4
MW: 561.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight561.09
XLogP33.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass559.90555
Monoisotopic Mass559.90555
Topological Polar Surface Area90.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity499
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B1697-5PD318088
A10704-50PD318088 50mg
A10704-10PD318088 10mg

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