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MEK4 inhibitor-1

CAT: 0931-T40206Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T40206Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2570386-36-4
Target
MEK, Others
Related Pathways
MAPK, Others
Bioactivity
MEK4 inhibitor-1 is a newly developed compound specifically designed to inhibit the activity of MEK4, a key enzyme involved in pancreatic adenocarcinoma, with an IC 50 value of 61 nM.
Smiles
NS(=O)(=O)c1ccc(cc1)-c1n[nH]c2cc(F)ccc12
Molecular Formula
C13H10FN3O2S
Molecular Weight
291.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

MEK4 inhibitor-1
CAS Number2570386-36-4
PubChem CID155424828
IUPAC Name4-(6-fluoro-1H-indazol-3-yl)benzenesulfonamide
Molecular FormulaC13H10FN3O2S
Molecular Weight291.30
XLogP1.9
Topological Polar Surface Area97.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity445
SMILES
C1=CC(=CC=C1C2=NNC3=C2C=CC(=C3)F)S(=O)(=O)N
InChI
InChI=1S/C13H10FN3O2S/c14-9-3-6-11-12(7-9)16-17-13(11)8-1-4-10(5-2-8)20(15,18)19/h1-7H,(H,16,17)(H2,15,18,19)
InChIKey
PKPLGKVAJMCSQQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MEK4 inhibitor-1
CAS: 2570386-36-4
CID: 155424828
Formula: C13H10FN3O2S
MW: 291.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight291.30
XLogP31.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass291.04777591
Monoisotopic Mass291.04777591
Topological Polar Surface Area97.2 Ų
Heavy Atom Count20
Formal Charge0
Complexity445
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