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IMM-02

CAT: 0013-GTR19199131-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199131-02Size:50 mg
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Description
IMM-02 is a small molecule inhibitor that disrupts the DID-DAD interaction. This compound is a valuable research tool for studying protein-protein interactions in cellular and biochemical assays, with applications in cancer and signaling pathway research.
CAS Number
218929-99-8
Field of Research
Cell Biology
Smiles
C (=NNC (NC (C) (C) C) =S) (C) C1=C (O) C (F) =CC (F) =C1
Molecular Formula
C13H17F2N3OS
Molecular Weight
301.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 135445537
CAS Number218929-99-8
PubChem CID135445537
IUPAC Name1-tert-butyl-3-[(E)-1-(3,5-difluoro-2-hydroxyphenyl)ethylideneamino]thiourea
Molecular FormulaC13H17F2N3OS
Molecular Weight301.36
XLogP2.7
Topological Polar Surface Area88.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity384
SMILES
C/C(=N\NC(=S)NC(C)(C)C)/C1=C(C(=CC(=C1)F)F)O
InChI
InChI=1S/C13H17F2N3OS/c1-7(17-18-12(20)16-13(2,3)4)9-5-8(14)6-10(15)11(9)19/h5-6,19H,1-4H3,(H2,16,18,20)/b17-7+
InChIKey
LNXOUMUIRMAHEG-REZTVBANSA-N
Chemical Structure
2D Structure
2D structure of CID 135445537
CAS: 218929-99-8
CID: 135445537
Formula: C13H17F2N3OS
MW: 301.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight301.36
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass301.10603967
Monoisotopic Mass301.10603967
Topological Polar Surface Area88.7 Ų
Heavy Atom Count20
Formal Charge0
Complexity384
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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