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Vibozilimod

CAT: 0013-GTR19189678-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189678-02Size:5 mg
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Description
Vibozilimod (SCD-044) is a selective sphingosine-1-phosphate receptor 1 (S1PR1) agonist. This small molecule is utilized in research to investigate S1PR1-mediated pathways in immunology and inflammation, with applications in both in vitro cellular assays and in vivo disease models.
CAS Number
1403232-33-6
Product Name Alternative
Vibozilimod, S1P Receptor, S1P1, S1PReceptor, SCD 044, SCD044, SCD-044
Field of Research
Pharmacology & Drug Discovery
Purity
99.47% (May vary between batches)
Solubility
Ethanol:1.7 mg/mL (3.14 mM) ; DMSO:< 1 mg/mL (insoluble or slightly soluble)
Smiles
COCCOCC1 (CCN (Cc2ccc (cc2) -c2noc (n2) -c2ccc (CC (C) C) c (Cl) c2) CC1) C (O) =O
Molecular Formula
C29H36ClN3O5
Molecular Weight
542.07
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Vibozilimod

Vibozilimod is a small molecule drug. The usage of the INN stem '-imod' in the name indicates that Vibozilimod is a immunomodulator, both stimulant/suppressive and stimulant. Vibozilimod has a monoisotopic molecular weight of 541.23 Da.

CAS Number1403232-33-6
PubChem CID66574564
IUPAC Name1-[[4-[5-[3-chloro-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-4-(2-methoxyethoxymethyl)piperidine-4-carboxylic acid
Molecular FormulaC29H36ClN3O5
Molecular Weight542.1
XLogP2.8
Topological Polar Surface Area97.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count38
Formal Charge0
Complexity727
SMILES
CC(C)CC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)CN4CCC(CC4)(COCCOC)C(=O)O)Cl
InChI
InChI=1S/C29H36ClN3O5/c1-20(2)16-23-8-9-24(17-25(23)30)27-31-26(32-38-27)22-6-4-21(5-7-22)18-33-12-10-29(11-13-33,28(34)35)19-37-15-14-36-3/h4-9,17,20H,10-16,18-19H2,1-3H3,(H,34,35)
InChIKey
LIVCREVOSRJFDS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vibozilimod
CAS: 1403232-33-6
CID: 66574564
Formula: C29H36ClN3O5
MW: 542.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight542.1
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass541.2343490
Monoisotopic Mass541.2343490
Topological Polar Surface Area97.9 Ų
Heavy Atom Count38
Formal Charge0
Complexity727
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
BA5480-10Vibozilimod

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