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CYM50308

CAT: 1410-M23505-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M23505-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CYM50308 is a high affinity agonist of sphingosine-1-phosphate receptor 4 (S1P4-R) (EC50: 56 nM) .
CAS Number
1345858-76-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
405.46
Molecular Formula
C20H21F2N3O2S
Notes
Research use only, not for human use.
Receptor
S1P4|S1P5

Chemical Information

(5Z)-5-[[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-(2-methoxyethylimino)-3-methyl-1,3-thiazolidin-4-one
CAS Number1345858-76-5
PubChem CID49835928
IUPAC Name(5Z)-5-[[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-(2-methoxyethylimino)-3-methyl-1,3-thiazolidin-4-one
Molecular FormulaC20H21F2N3O2S
Molecular Weight405.5
XLogP3.7
Topological Polar Surface Area72.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity645
SMILES
CC1=CC(=C(N1C2=C(C=C(C=C2)F)F)C)/C=C\3/C(=O)N(C(=NCCOC)S3)C
InChI
InChI=1S/C20H21F2N3O2S/c1-12-9-14(13(2)25(12)17-6-5-15(21)11-16(17)22)10-18-19(26)24(3)20(28-18)23-7-8-27-4/h5-6,9-11H,7-8H2,1-4H3/b18-10-,23-20?
InChIKey
BKQZKTRCUAWRHT-ONBPWHQPSA-N
Chemical Structure
2D Structure
2D structure of (5Z)-5-[[1-(2,4-difluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-(2-methoxyethylimino)-3-methyl-1,3-thiazolidin-4-one
CAS: 1345858-76-5
CID: 49835928
Formula: C20H21F2N3O2S
MW: 405.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.5
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass405.13225442
Monoisotopic Mass405.13225442
Topological Polar Surface Area72.1 Ų
Heavy Atom Count28
Formal Charge0
Complexity645
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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MBS3846609-01CYM50308
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A22072-500CYM50308 500mg
A22072-25CYM50308 25mg
A22072-50CYM50308 50mg
A22072-1CYM50308 1mg
A22072-200CYM50308 200mg
A22072-5CYM50308 5mg

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