Products for Research Use Only

RO4987655

CAT: 1410-M16357-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M16357-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A potent and highly selective small-molecule MEK inhibitor with IC50 of 5.2 nM.
CAS Number
874101-00-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
565.2816
Molecular Formula
C20H19F3IN3O5
Notes
Research use only, not for human use.
Receptor
MEK1|MEK2

Chemical Information

Ro-4987655

RO4987655 has been used in trials studying the treatment of Neoplasms.

CAS Number874101-00-5
PubChem CID11548630
IUPAC Name3,4-difluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-5-[(3-oxooxazinan-2-yl)methyl]benzamide
Molecular FormulaC20H19F3IN3O5
Molecular Weight565.3
XLogP3
Topological Polar Surface Area100
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity652
SMILES
C1CC(=O)N(OC1)CC2=CC(=C(C(=C2F)F)NC3=C(C=C(C=C3)I)F)C(=O)NOCCO
InChI
InChI=1S/C20H19F3IN3O5/c21-14-9-12(24)3-4-15(14)25-19-13(20(30)26-31-7-5-28)8-11(17(22)18(19)23)10-27-16(29)2-1-6-32-27/h3-4,8-9,25,28H,1-2,5-7,10H2,(H,26,30)
InChIKey
FIMYFEGKMOCQKT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ro-4987655
CAS: 874101-00-5
CID: 11548630
Formula: C20H19F3IN3O5
MW: 565.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight565.3
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass565.03215
Monoisotopic Mass565.03215
Topological Polar Surface Area100 Ų
Heavy Atom Count32
Formal Charge0
Complexity652
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