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YM 264

CAT: 0572-TRC-Y100615-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-Y100615-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
131888-54-5
Synonyms
1-(3-Methyl-3-phenylbutyl)-4-[[2-(3-pyridinyl)-4-thiazolidinyl]carbonyl]-piperazine (E)-2-Butenedioate;1-(3-Methyl-3-phenylbutyl)-4-[[2-(3-pyridinyl)-4-thiazolidinyl]carbonyl]-piperazine (2E)-2-Butenedioate;
Hazard Statement
No Data Available
Smiles
O=C([C@H]1NC(C2=CC=CN=C2)SC1)N3CCN(CCC(C4=CC=CC=C4)(C)C)CC3.OC(/C=C/C(O)=O)=O
Molecular Formula
C24H32N4OS • (C4H4O4)
Molecular Weight
540.67
InChI
InChI=1S/C24H32N4OS.C4H4O4/c1-24(2,20-8-4-3-5-9-20)10-12-27-13-15-28(16-14-27)23(29)21-18-30-22(26-21)19-7-6-11-25-17-19;5-3(6)1-2-4(7)8/h3-9,11,17,21-22,26H,10,12-16,18H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t21-,22?;/m0./s1
Additionnal Information
IUPAC name: (4-(3-methyl-3-phenylbutyl)piperazin-1-yl)((4R)-2-(pyridin-3-yl)thiazolidin-4-yl)methanone fumarate
Shipping Conditions
Room Temperature

Chemical Information

YM 264

PAF antagonist

CAS Number131888-54-5
PubChem CID6439322
IUPAC Name(E)-but-2-enedioic acid;[4-(3-methyl-3-phenylbutyl)piperazin-1-yl]-(2-pyridin-3-yl-1,3-thiazolidin-4-yl)methanone
Molecular FormulaC28H36N4O5S
Molecular Weight540.7
Topological Polar Surface Area148
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count38
Formal Charge0
Complexity676
SMILES
CC(C)(CCN1CCN(CC1)C(=O)C2CSC(N2)C3=CN=CC=C3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O
InChI
InChI=1S/C24H32N4OS.C4H4O4/c1-24(2,20-8-4-3-5-9-20)10-12-27-13-15-28(16-14-27)23(29)21-18-30-22(26-21)19-7-6-11-25-17-19;5-3(6)1-2-4(7)8/h3-9,11,17,21-22,26H,10,12-16,18H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey
LBPPBLYOJCIZRW-WLHGVMLRSA-N
Chemical Structure
2D Structure
2D structure of YM 264
CAS: 131888-54-5
CID: 6439322
Formula: C28H36N4O5S
MW: 540.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight540.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass540.24064144
Monoisotopic Mass540.24064144
Topological Polar Surface Area148 Ų
Heavy Atom Count38
Formal Charge0
Complexity676
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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