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BAY-805

CAT: 0957-E1633-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E1633-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BAY-805 is a potent, selective, and cell-active inhibitor that non-covalently targets the catalytic activity of USP21, a member of the ubiquitin-specific protease (USP) subfamily of deubiquitinating enzymes (DUBs) .
CAS Number
2925481-88-3
Target
DUB
Activity
Ubiquitin
Molecular Formula
C24H28F3N5O2S

Chemical Information

(R)-N-(1-((5-(4-Cyanobenzyl)-1,3,4-thiadiazol-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-1-(trifluoromethyl)cyclohexane-1-carboxamide
CAS Number2925481-88-3
PubChem CID167312463
IUPAC NameN-[(2R)-1-[[5-[(4-cyanophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-(trifluoromethyl)cyclohexane-1-carboxamide
Molecular FormulaC24H28F3N5O2S
Molecular Weight507.6
XLogP5.6
Topological Polar Surface Area136
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity786
SMILES
CC(C)C[C@H](C(=O)NC1=NN=C(S1)CC2=CC=C(C=C2)C#N)NC(=O)C3(CCCCC3)C(F)(F)F
InChI
InChI=1S/C24H28F3N5O2S/c1-15(2)12-18(29-21(34)23(24(25,26)27)10-4-3-5-11-23)20(33)30-22-32-31-19(35-22)13-16-6-8-17(14-28)9-7-16/h6-9,15,18H,3-5,10-13H2,1-2H3,(H,29,34)(H,30,32,33)/t18-/m1/s1
InChIKey
LXRBPWHQMGKMRT-GOSISDBHSA-N
Chemical Structure
2D Structure
2D structure of (R)-N-(1-((5-(4-Cyanobenzyl)-1,3,4-thiadiazol-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-1-(trifluoromethyl)cyclohexane-1-carboxamide
CAS: 2925481-88-3
CID: 167312463
Formula: C24H28F3N5O2S
MW: 507.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight507.6
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass507.19158081
Monoisotopic Mass507.19158081
Topological Polar Surface Area136 Ų
Heavy Atom Count35
Formal Charge0
Complexity786
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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