P22077

CAT: 0957-S7133-01Size: 10 mgDry Ice: YesHazardous: No

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CAT#:0957-S7133-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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Description

P22077 is an inhibitor of ubiquitin-specific protease USP7 with EC50 of 8.6 μM, also inhibits the closely related USP47.

CAS Number

1247819-59-5

Target

DUB

Activity

Ubiquitin

Molecular Formula

C12H7F2NO3S2

Storage Conditions

2 years -80 in solvent

Chemical Information

P22077

CAS Number	1247819-59-5
PubChem CID	46931953
IUPAC Name	1-[5-(2,4-difluorophenyl)sulfanyl-4-nitrothiophen-2-yl]ethanone
Molecular Formula	C12H7F2NO3S2
Molecular Weight	315.3
XLogP	4.1
Topological Polar Surface Area	116
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Heavy Atom Count	20
Formal Charge	0
Complexity	393

SMILES

CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]

InChI

InChI=1S/C12H7F2NO3S2/c1-6(16)11-5-9(15(17)18)12(20-11)19-10-3-2-7(13)4-8(10)14/h2-5H,1H3

InChIKey

RMAMGGNACJHXHO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1247819-59-5

CID: 46931953

Formula: C12H7F2NO3S2

MW: 315.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	315.3
XLogP3	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	314.98354176
Monoisotopic Mass	314.98354176
Topological Polar Surface Area	116 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	393
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
C12467-50mg	P22077
TBI4125-10MG	P22077, USP7 inhibitor
217330	DUB Inhibitor VI, P22077 (1- (5- (2,4-Difluorophenylthio) -4-nitrothiophen-2-yl) ethanone, USP7 Inhibitor II, USP47 Inhibitor II)