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WM-586

CAT: 0013-GTR19230696-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19230696-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
WM-586 is a potent and selective covalent inhibitor of the WDR5-MYC protein-protein interaction, exhibiting an IC50 of 101 nM in HTRF assays. This compound is a valuable chemical probe for oncology research, enabling the study of MYC-driven transcriptional programs in both cellular and in vivo models of cancer.
CAS Number
2894832-05-2
Field of Research
Epigenetics & Chromatin
Smiles
FC1=C (C[C@@H] (CCCC) C (=O) NC2=NN=NN2) C (F) =CC (C2C=CC=C (S (=O) (=O) F) C=2) =C1
Molecular Formula
C20H20F3N5O3S
Molecular Weight
467.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-[3,5-difluoro-4-[(2S)-2-(2H-tetrazol-5-ylcarbamoyl)hexyl]phenyl]benzenesulfonyl fluoride
CAS Number2894832-05-2
PubChem CID167312325
IUPAC Name3-[3,5-difluoro-4-[(2S)-2-(2H-tetrazol-5-ylcarbamoyl)hexyl]phenyl]benzenesulfonyl fluoride
Molecular FormulaC20H20F3N5O3S
Molecular Weight467.5
XLogP4.5
Topological Polar Surface Area126
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count32
Formal Charge0
Complexity714
SMILES
CCCC[C@@H](CC1=C(C=C(C=C1F)C2=CC(=CC=C2)S(=O)(=O)F)F)C(=O)NC3=NNN=N3
InChI
InChI=1S/C20H20F3N5O3S/c1-2-3-5-13(19(29)24-20-25-27-28-26-20)9-16-17(21)10-14(11-18(16)22)12-6-4-7-15(8-12)32(23,30)31/h4,6-8,10-11,13H,2-3,5,9H2,1H3,(H2,24,25,26,27,28,29)/t13-/m0/s1
InChIKey
BWWWIQSHXJUWBT-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of 3-[3,5-difluoro-4-[(2S)-2-(2H-tetrazol-5-ylcarbamoyl)hexyl]phenyl]benzenesulfonyl fluoride
CAS: 2894832-05-2
CID: 167312325
Formula: C20H20F3N5O3S
MW: 467.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight467.5
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass467.12389518
Monoisotopic Mass467.12389518
Topological Polar Surface Area126 Ų
Heavy Atom Count32
Formal Charge0
Complexity714
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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