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WF-210

CAT: 1410-M10980-01Size: 1 EachDry Ice: NoHazardous: No
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Description
WF-210 is a PAC-1 derivative and potent activator of procaspases-3 with EC50 of 0.95 uM.
CAS Number
1242279-00-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
791.855
Molecular Formula
C41H38FN7O7S
Notes
Research use only, not for human use.
Receptor
Caspase

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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T24029-01WF-210
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