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1-[[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid - Moligand™ , Agonist of S1P 1 receptor;Agonist of S1P 3 receptor;Agonist of S1P 4 receptor;Agonist of S1P 5 receptor, CAS No.M609007, Agonist of S1P 1 receptor;Agonist of S1P 3 receptor;Agonist of S1P 4 receptor;Agonist of S1P 5 receptor

CAS: M609007 Cat. No.: M609007 PubChem CID: 10430549
COA
1-[[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid - Moligand™ , Agonist of S1P 1 receptor;Agonist of S1P 3 receptor;Agonist of S1P 4 receptor;Agonist of S1P 5 receptor, CAS No.M609007, Agonist of S1P 1 receptor;Agonist of S1P 3 receptor;Agonist of S1P 4 receptor;Agonist of S1P 5 receptor
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
Synonyms
1-(4-(5-(4-isobutylphenyl)-1,2,4-oxadiazol-3-yl)benzyl)azetidine-3-carboxylic acid | SCHEMBL5383882 | DTXSID70439828 | J-504119 | AKOS022179846 | CAY10734 | 1-[[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-ly]phenyl]methyl]-3-Azetidinecarboxylic acid
Storage
Room temperature
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 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
M609007-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,300.90
25mg
M609007-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,714.90

$2,000.90
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
1-(4-(5-(4-isobutylphenyl)-1, 2, 4-oxadiazol-3-yl)benzyl)azetidine-3-carboxylic acid | SCHEMBL5383882 | DTXSID70439828 | J-504119 | AKOS022179846 | CAY10734 | 1-[[4-[5-[4-(2-methylpropyl)phenyl]-1, 2, 4-oxadiazol-3-ly]phenyl]methyl]-3-Azetidinecarboxylic acid
Specifications & Purity
Moligand™
Storage
Room temperature
Grade
Moligand™
Action Type
AGONIST
Mechanism of action
Agonist of S1P 1 receptor;Agonist of S1P 3 receptor;Agonist of S1P 4 receptor;Agonist of S1P 5 receptor
Names and Identifiers
Canonical SmilesCC(Cc1ccc(cc1)c1onc(n1)c1ccc(cc1)CN1CC(C1)C(=O)O)C
IUPAC Name1-[[4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid
InChIKeySHQNRSGKLNMHOS-UHFFFAOYSA-N
INCHI1S/C23H25N3O3/c1-15(2)11-16-3-9-19(10-4-16)22-24-21(25-29-22)18-7-5-17(6-8-18)12-26-13-20(14-26)23(27)28/h3-10,15,20H,11-14H2,1-2H3,(H,27,28)
Isomeric SMILES CC(C)CC1=CC=C(C=C1)C2=NC(=NO2)C3=CC=C(C=C3)CN4CC(C4)C(=O)O
PubChem CID 10430549

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassAzoles
SubclassOxadiazoles
Intermediate Tree Nodes 1,2,4-oxadiazoles
Direct ParentPhenyloxadiazoles
Alternative Parents Phenylpropanes  Phenylmethylamines  Benzylamines  Azetidinecarboxylic acids  Aralkylamines  Heteroaromatic compounds  Trialkylamines  Amino acids  Oxacyclic compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Azacyclic compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Phenyl-1,2,4-oxadiazole - Phenylpropane - Benzylamine - Phenylmethylamine - Azetidinecarboxylic acid - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Azetidine - Amino acid - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
S1PR5 Tclin Sphingosine 1-phosphate receptor 5 (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
S1PR4 Tclin Sphingosine 1-phosphate receptor 4 (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
S1PR1 Tclin Sphingosine 1-phosphate receptor 1 (4 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
S1PR3 Tclin Sphingosine 1-phosphate receptor 3 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
S1PR4 Tclin Sphingosine 1-phosphate receptor Edg-6 (1041 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
S1PR3 Tclin Sphingosine 1-phosphate receptor Edg-3 (2543 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
S1PR2 Tchem Sphingosine 1-phosphate receptor Edg-5 (1593 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
S1PR1 Tclin Sphingosine 1-phosphate receptor Edg-1 (5806 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
S1PR5 Tclin Sphingosine 1-phosphate receptor Edg-8 (813 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Oryctolagus cuniculus (11301 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight391.500 g/mol
XLogP31.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass391.19 Da
Monoisotopic Mass391.19 Da
Topological Polar Surface Area79.500 Ų
Heavy Atom Count29
Formal Charge0
Complexity535.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

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S1P1 receptor Agonist (31) S1P3 receptor Agonist (14) S1P4 receptor Agonist (18) S1P5 receptor Agonist (18)
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