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WIZ degrader 3

CAT: 0931-T89606-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T89606-01Size:10 mg
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CAS Number
2839637-72-6
Bioactivity
WIZ degrader 3 (Compound 29) is a degrader of the wide-interval zinc finger motif (WIZ) with an AC50 of 6.4 nM. It induces the expression of fetal hemoglobin (HbF) with an EC50 of 45 nM. This compound is useful for the study of blood disorders such as sickle cell disease and β-thalassemia.
Smiles
C(C=1C=C2C(=NOC2=CC1)N3C(=O)NC(=O)CC3)N4C[C@H](C)N(C)CC4
Molecular Formula
C18H23N5O3
Molecular Weight
357.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

WIZ degrader 3
CAS Number2839637-72-6
PubChem CID172419471
IUPAC Name1-[5-[[(3S)-3,4-dimethylpiperazin-1-yl]methyl]-1,2-benzoxazol-3-yl]-1,3-diazinane-2,4-dione
Molecular FormulaC18H23N5O3
Molecular Weight357.4
XLogP0.8
Topological Polar Surface Area81.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity559
SMILES
C[C@H]1CN(CCN1C)CC2=CC3=C(C=C2)ON=C3N4CCC(=O)NC4=O
InChI
InChI=1S/C18H23N5O3/c1-12-10-22(8-7-21(12)2)11-13-3-4-15-14(9-13)17(20-26-15)23-6-5-16(24)19-18(23)25/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,19,24,25)/t12-/m0/s1
InChIKey
ITMHVHSSTZYQAN-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of WIZ degrader 3
CAS: 2839637-72-6
CID: 172419471
Formula: C18H23N5O3
MW: 357.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.4
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass357.18008961
Monoisotopic Mass357.18008961
Topological Polar Surface Area81.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity559
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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