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FT-827

CAT: 1410-M13071-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M13071-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A novel potent, specific, covalent USP7 inhibitor with Kd of 7.8 uM (USP7 catalytic domain) .
CAS Number
1959537-86-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
548.618
Molecular Formula
C27H28N6O5S
Notes
Research use only, not for human use.
Receptor
DUB

Chemical Information

N-[2-[4-[4-hydroxy-4-[(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)methyl]piperidine-1-carbonyl]phenyl]phenyl]ethenesulfonamide
CAS Number1959537-86-0
PubChem CID121435663
IUPAC NameN-[2-[4-[4-hydroxy-4-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]piperidine-1-carbonyl]phenyl]phenyl]ethenesulfonamide
Molecular FormulaC27H28N6O5S
Molecular Weight548.6
XLogP1.5
Topological Polar Surface Area146
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count39
Formal Charge0
Complexity1060
SMILES
CN1C2=C(C=N1)C(=O)N(C=N2)CC3(CCN(CC3)C(=O)C4=CC=C(C=C4)C5=CC=CC=C5NS(=O)(=O)C=C)O
InChI
InChI=1S/C27H28N6O5S/c1-3-39(37,38)30-23-7-5-4-6-21(23)19-8-10-20(11-9-19)25(34)32-14-12-27(36,13-15-32)17-33-18-28-24-22(26(33)35)16-29-31(24)2/h3-11,16,18,30,36H,1,12-15,17H2,2H3
InChIKey
GFNJQQBUZURQMA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[2-[4-[4-hydroxy-4-[(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)methyl]piperidine-1-carbonyl]phenyl]phenyl]ethenesulfonamide
CAS: 1959537-86-0
CID: 121435663
Formula: C27H28N6O5S
MW: 548.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight548.6
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass548.18418919
Monoisotopic Mass548.18418919
Topological Polar Surface Area146 Ų
Heavy Atom Count39
Formal Charge0
Complexity1060
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

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