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WF-210

CAT: 0931-T24029-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T24029-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1242279-00-0
Target
Others, Apoptosis, Caspase
Related Pathways
Apoptosis, Others, Proteases/Proteasome
Bioactivity
WF-210 is an effective activator of procaspase-3 that acts by inducing apoptosis in cancer cells and reducing tumor growth.
Smiles
C(C1=NC(=NO1)C2=CC=C(COC3=CC=C(F)C=C3)C=C2)N4CCN(CC(NN=CC5=C(O)C=C(OCC=6N=C(CC=7C=C8C(=CC7)OCO8)SC6)C=C5)=O)CC4
Molecular Formula
C41H38FN7O7S
Molecular Weight
791.85
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 168012364
CAS Number1242279-00-0
PubChem CID168012364
IUPAC NameN-[(E)-[4-[[2-(1,3-benzodioxol-5-ylmethyl)-1,3-thiazol-4-yl]methoxy]-2-hydroxyphenyl]methylideneamino]-2-[4-[[3-[4-[(4-fluorophenoxy)methyl]phenyl]-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]acetamide
Molecular FormulaC41H38FN7O7S
Molecular Weight791.8
XLogP6
Topological Polar Surface Area185
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count15
Heavy Atom Count57
Formal Charge0
Complexity1270
SMILES
C1CN(CCN1CC2=NC(=NO2)C3=CC=C(C=C3)COC4=CC=C(C=C4)F)CC(=O)N/N=C/C5=C(C=C(C=C5)OCC6=CSC(=N6)CC7=CC8=C(C=C7)OCO8)O
InChI
InChI=1S/C41H38FN7O7S/c42-31-7-10-33(11-8-31)52-23-27-1-4-29(5-2-27)41-45-39(56-47-41)22-49-15-13-48(14-16-49)21-38(51)46-43-20-30-6-9-34(19-35(30)50)53-24-32-25-57-40(44-32)18-28-3-12-36-37(17-28)55-26-54-36/h1-12,17,19-20,25,50H,13-16,18,21-24,26H2,(H,46,51)/b43-20+
InChIKey
UBTUDBNKVUIOLS-PZUSPJSTSA-N
Chemical Structure
2D Structure
2D structure of CID 168012364
CAS: 1242279-00-0
CID: 168012364
Formula: C41H38FN7O7S
MW: 791.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight791.8
XLogP36
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count15
Rotatable Bond Count15
Exact Mass791.25374591
Monoisotopic Mass791.25374591
Topological Polar Surface Area185 Ų
Heavy Atom Count57
Formal Charge0
Complexity1270
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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