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TH10184

CAT: 0931-T211250-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T211250-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2271044-59-6
Target
Ligands for Target Protein for PROTAC
Related Pathways
PROTAC
Bioactivity
TH10184 is an inhibitor of NUDT5. It can be conjugated with VH032 and a linker to form a PROTAC-targeted degrader of NUDT5, known as DDD2.
Smiles
O=C1C2=C(N=C(N2CC3=NN=C(O3)C=4C=CC(=C(OC)C4)C)N5CCNCC5)N(C(=O)N1C)C
Molecular Formula
C22H26N8O4
Molecular Weight
466.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

7-[[5-(3-Methoxy-4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione
CAS Number2271044-59-6
PubChem CID147821792
IUPAC Name7-[[5-(3-methoxy-4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione
Molecular FormulaC22H26N8O4
Molecular Weight466.5
XLogP0.8
Topological Polar Surface Area122
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity767
SMILES
CC1=C(C=C(C=C1)C2=NN=C(O2)CN3C4=C(N=C3N5CCNCC5)N(C(=O)N(C4=O)C)C)OC
InChI
InChI=1S/C22H26N8O4/c1-13-5-6-14(11-15(13)33-4)19-26-25-16(34-19)12-30-17-18(27(2)22(32)28(3)20(17)31)24-21(30)29-9-7-23-8-10-29/h5-6,11,23H,7-10,12H2,1-4H3
InChIKey
HPJMTPAAYQIYBI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-[[5-(3-Methoxy-4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione
CAS: 2271044-59-6
CID: 147821792
Formula: C22H26N8O4
MW: 466.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.5
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass466.20770134
Monoisotopic Mass466.20770134
Topological Polar Surface Area122 Ų
Heavy Atom Count34
Formal Charge0
Complexity767
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

Related Products

CatalogName
T60034-01TH1085

Alternative Products

CatalogName
HY-176262TH10184
GTR19263757-01TH10184-octanedioic acid

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