CYM50308

CAT: 0931-T15032-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T15032-02Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1345858-76-5

Target

LPL Receptor, S1P Receptor

Related Pathways

GPCR/G Protein

Purity

0.9977

Bioactivity

CYM50308 is a high affinity agonist of sphingosine-1-phosphate receptor 4 (S1P4-R) (EC50: 56 nM) . CYM50308 has no activity at S1P1-R, S1P2-R and S1P3-R subtypes at concentrations up to 25 μM and it shows 37-fold more selective for S1P4-R than S1P5-R.

Smiles

COCC\N=C1/S\C(=C/c2cc(C)n(c2C)-c2ccc(F)cc2F)C(=O)N1C

Molecular Formula

C20H21F2N3O2S

Molecular Weight

405.46

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

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 Number	1345858-76-5
PubChem CID	49835928
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 Formula	C20H21F2N3O2S
Molecular Weight	405.5
XLogP	3.7
Topological Polar Surface Area	72.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	28
Formal Charge	0
Complexity	645

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

CAS: 1345858-76-5

CID: 49835928

Formula: C20H21F2N3O2S

MW: 405.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	405.5
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	405.13225442
Monoisotopic Mass	405.13225442
Topological Polar Surface Area	72.1 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	645
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T9464-01	CYM50358
T27106-01	CYM50374

Alternative Products

Catalog	Name
MBS3846609-01	CYM50308
A22072-100	CYM50308 100mg
A22072-10	CYM50308 10mg
A22072-500	CYM50308 500mg
A22072-25	CYM50308 25mg
A22072-50	CYM50308 50mg
A22072-1	CYM50308 1mg
A22072-200	CYM50308 200mg
A22072-5	CYM50308 5mg

CYM50308

Chemical Information

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