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Z-IETD-FMK

CAT: 0607-B3232-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-B3232-5Size:5 mg
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Description
Caspase-8 inhibitor
CAS Number
210344-98-2
Product Name Alternative
methyl 5-[[1-[(5-fluoro-1-methoxy-1,4-dioxopentan-3-yl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoate
Sequence
Benzyloxycarbonyl-Ile-Glu(OMe)-Thr-Asp(OMe)-fluoromethylketone, Z-Ile-Glu(OMe)-Thr-Asp(OMe)-FMK
Field of Research
Apoptosis Caspase Proteases Caspase
Purity
0.98
Solubility
≥32.73 mg/mL in DMSO; insoluble in EtOH; insoluble in H2O
Smiles
CCC(C)C(C(=O)NC(CCC(=O)OC)C(=O)NC(C(C)O)C(=O)NC(CC(=O)OC)C(=O)CF)NC(=O)OCC1=CC=CC=C1
Molecular Formula
C30H43FN4O11
Molecular Weight
654.68
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Z-IETD-fmk
CAS Number210344-98-2
PubChem CID25108681
IUPAC Namemethyl (4S)-5-[[(2S,3R)-1-[[(3S)-5-fluoro-1-methoxy-1,4-dioxopentan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoate
Molecular FormulaC30H43FN4O11
Molecular Weight654.7
XLogP1.2
Topological Polar Surface Area216
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count22
Heavy Atom Count46
Formal Charge0
Complexity1050
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)OC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)OC)C(=O)CF)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C30H43FN4O11/c1-6-17(2)25(35-30(43)46-16-19-10-8-7-9-11-19)28(41)32-20(12-13-23(38)44-4)27(40)34-26(18(3)36)29(42)33-21(22(37)15-31)14-24(39)45-5/h7-11,17-18,20-21,25-26,36H,6,12-16H2,1-5H3,(H,32,41)(H,33,42)(H,34,40)(H,35,43)/t17-,18+,20-,21-,25-,26-/m0/s1
InChIKey
PHLCQASLWHYEMX-DEKIMQJDSA-N
Chemical Structure
2D Structure
2D structure of Z-IETD-fmk
CAS: 210344-98-2
CID: 25108681
Formula: C30H43FN4O11
MW: 654.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight654.7
XLogP31.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count12
Rotatable Bond Count22
Exact Mass654.29123636
Monoisotopic Mass654.29123636
Topological Polar Surface Area216 Ų
Heavy Atom Count46
Formal Charge0
Complexity1050
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes