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P005091

CAT: 0607-A3023-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A3023-50Size:50 mg
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Description
Ubiquitin-specific protease 7 (USP7) inhibitor
CAS Number
882257-11-6
Product Name Alternative
1-[5-(2,3-dichlorophenyl)sulfanyl-4-nitrothiophen-2-yl]ethanone
Sequence
P005091,P5091
Field of Research
Ubiquitination Proteasome DUB
Purity
0.9967
Form
A solid
Solubility
insoluble in H2O; insoluble in EtOH; ≥17.4 mg/mL in DMSO
Smiles
CC(=O)C1=CC(=C(S1)SC2=C(C(=CC=C2)Cl)Cl)[N+](=O)[O-]
Molecular Formula
C12H7Cl2NO3S2
Molecular Weight
348.22
Shipping Conditions
Blue ice
Storage Conditions
Store at 4°C.

Chemical Information

P5091

inhibits ubiquitin-specific protease 7; structure in first source

CAS Number882257-11-6
PubChem CID2819993
IUPAC Name1-[5-(2,3-dichlorophenyl)sulfanyl-4-nitrothiophen-2-yl]ethanone
Molecular FormulaC12H7Cl2NO3S2
Molecular Weight348.2
XLogP5.1
Topological Polar Surface Area116
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity393
SMILES
CC(=O)C1=CC(=C(S1)SC2=C(C(=CC=C2)Cl)Cl)[N+](=O)[O-]
InChI
InChI=1S/C12H7Cl2NO3S2/c1-6(16)10-5-8(15(17)18)12(20-10)19-9-4-2-3-7(13)11(9)14/h2-5H,1H3
InChIKey
LKZLGMAAKNEGCH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of P5091
CAS: 882257-11-6
CID: 2819993
Formula: C12H7Cl2NO3S2
MW: 348.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.2
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass346.9244408
Monoisotopic Mass346.9244408
Topological Polar Surface Area116 Ų
Heavy Atom Count20
Formal Charge0
Complexity393
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

Alternative Products

CatalogName
406577P005091
MBS579450P5091 (P005091)
A13277-5P005091 5mg
A13277-100P005091 100mg
A13277-50P005091 50mg
A13277-10P005091 10mg
A13277-25P005091 25mg
A13277-2P005091 2mg
A13277-10mM-DP005091 10mM * 1mL in DMSO
145684P005091 (USP7 Inhibitor, 1-[5-[ (2,3-Dichlorophenyl) thio]-4-n itro-2-thienyl]ethanone) discontinued

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