Products for Research Use Only
RegisterLogin

PD318088

CAT: 0931-T6152-03Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T6152-03Size:1 mL - 10 mM (in DMSO)
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
391210-00-7
Target
MEK
Related Pathways
MAPK
Purity
0.9981
Bioactivity
PD318088 is a non-ATP competitive allosteric MEK1/2 inhibitor, binding simultaneously with ATP in a region of the MEK1 active site that is adjacent to the ATP-binding site.
Smiles
OCC(O)CONC(=O)c1cc(Br)c(F)c(F)c1Nc1ccc(I)cc1F
Molecular Formula
C16H13BrF3IN2O4
Molecular Weight
561.09
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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

Popular Products