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USP7-055

CAT: 0931-T200500-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T200500-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2413943-73-2
Target
DUB
Related Pathways
Ubiquitination, Cell Cycle/Checkpoint, DNA Damage/DNA Repair
Bioactivity
USP7-055 is an inhibitor of USP7, utilized in cancer research.
Smiles
C(C1=C(C=C(Cl)C=C1C)C2=C3C(C=C(CN4C(=O)C5C(C4=O)C5)S3)=NC=C2)N6[C@@H](C)CNC[C@@H]6C
Molecular Formula
C27H29ClN4O2S
Molecular Weight
509.06
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-[[7-[5-chloro-2-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CAS Number2413943-73-2
PubChem CID146445248
IUPAC Name3-[[7-[5-chloro-2-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
Molecular FormulaC27H29ClN4O2S
Molecular Weight509.1
XLogP3.6
Topological Polar Surface Area93.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity816
SMILES
C[C@H]1CNC[C@@H](N1CC2=C(C=C(C=C2C)Cl)C3=C4C(=NC=C3)C=C(S4)CN5C(=O)C6CC6C5=O)C
InChI
InChI=1S/C27H29ClN4O2S/c1-14-6-17(28)7-20(23(14)13-31-15(2)10-29-11-16(31)3)19-4-5-30-24-8-18(35-25(19)24)12-32-26(33)21-9-22(21)27(32)34/h4-8,15-16,21-22,29H,9-13H2,1-3H3/t15-,16-,21?,22?/m0/s1
InChIKey
HIJYQGWSULXYJM-TUKZGULFSA-N
Chemical Structure
2D Structure
2D structure of 3-[[7-[5-chloro-2-[[(2S,6S)-2,6-dimethylpiperazin-1-yl]methyl]-3-methylphenyl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CAS: 2413943-73-2
CID: 146445248
Formula: C27H29ClN4O2S
MW: 509.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight509.1
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass508.1699750
Monoisotopic Mass508.1699750
Topological Polar Surface Area93.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity816
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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