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MF-094

CAT: 1568-C01474-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C01474-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2241025-68-1
SKU
C01474-5mg
Target
DUB
Applications
Ubiquitin
Smiles
CC (C) (C) N[S] (=O) (=O) C1=CC=CC2=C1C=CC=C2NC (=O) C (CC3=CC=CC=C3) NC (=O) C4CCCCC4
Additionnal Information
MF-094, a potent and selective USP30 inhibitor (IC50=0.12 μM), accelerates diabetic wound healing by inhibiting the NLRP3 inflammasome.
Storage Conditions
3 years -20°C powder

Chemical Information

N-[(2S)-1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide
CAS Number2241025-68-1
PubChem CID138319686
IUPAC NameN-[(2S)-1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide
Molecular FormulaC30H37N3O4S
Molecular Weight535.7
XLogP5.7
Topological Polar Surface Area113
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count38
Formal Charge0
Complexity897
SMILES
CC(C)(C)NS(=O)(=O)C1=CC=CC2=C1C=CC=C2NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4CCCCC4
InChI
InChI=1S/C30H37N3O4S/c1-30(2,3)33-38(36,37)27-19-11-16-23-24(27)17-10-18-25(23)31-29(35)26(20-21-12-6-4-7-13-21)32-28(34)22-14-8-5-9-15-22/h4,6-7,10-13,16-19,22,26,33H,5,8-9,14-15,20H2,1-3H3,(H,31,35)(H,32,34)/t26-/m0/s1
InChIKey
DQXORJHBZHLLTE-SANMLTNESA-N
Chemical Structure
2D Structure
2D structure of N-[(2S)-1-[[5-(tert-butylsulfamoyl)naphthalen-1-yl]amino]-1-oxo-3-phenylpropan-2-yl]cyclohexanecarboxamide
CAS: 2241025-68-1
CID: 138319686
Formula: C30H37N3O4S
MW: 535.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight535.7
XLogP35.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass535.25047784
Monoisotopic Mass535.25047784
Topological Polar Surface Area113 Ų
Heavy Atom Count38
Formal Charge0
Complexity897
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