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BAY-438

CAT: 0013-GTR19208350-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208350-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BAY-438 is a potent, orally bioavailable allosteric MEK inhibitor characterized by a prolonged half-life and minimal brain penetration. It demonstrates significant efficacy in K-Ras-mutated A549 cell line xenograft models, making it a valuable research tool for investigating targeted oncology therapies in both in vitro and in vivo settings.
CAS Number
1295505-76-8
Smiles
N (C1=C (C (N) =O) C (OC2=CC (CNS (N) (=O) =O) =CC=C2) =CC (F) =C1F) C3=C (F) C=C (I) C=C3
Molecular Formula
C20H16F3IN4O4S
Molecular Weight
592.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]-6-{3-[(sulfamoylamino)methyl]phenoxy}benzamide
CAS Number1295505-76-8
PubChem CID51347355
IUPAC Name3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-[3-[(sulfamoylamino)methyl]phenoxy]benzamide
Molecular FormulaC20H16F3IN4O4S
Molecular Weight592.3
XLogP3.6
Topological Polar Surface Area145
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity777
SMILES
C1=CC(=CC(=C1)OC2=CC(=C(C(=C2C(=O)N)NC3=C(C=C(C=C3)I)F)F)F)CNS(=O)(=O)N
InChI
InChI=1S/C20H16F3IN4O4S/c21-13-7-11(24)4-5-15(13)28-19-17(20(25)29)16(8-14(22)18(19)23)32-12-3-1-2-10(6-12)9-27-33(26,30)31/h1-8,27-28H,9H2,(H2,25,29)(H2,26,30,31)
InChIKey
KQYTZJXGFPXBER-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,4-Difluoro-2-[(2-fluoro-4-iodophenyl)amino]-6-{3-[(sulfamoylamino)methyl]phenoxy}benzamide
CAS: 1295505-76-8
CID: 51347355
Formula: C20H16F3IN4O4S
MW: 592.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight592.3
XLogP33.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass591.98891
Monoisotopic Mass591.98891
Topological Polar Surface Area145 Ų
Heavy Atom Count33
Formal Charge0
Complexity777
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

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