ifidancitinib - Moligand™ , CAS No.1236667-40-5

CAS: 1236667-40-5 Cat. No.: I610943 PubChem CID: 46851625
DISPONIBLE À COMMANDE
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
5-((2-(4-Fluoro-3-methoxy-5-methylphenylamino)-5-methylpyrimidin-4-yl)amino)benzo(d)oxazol-2(3H)-one | ifidancitinib | 5-((2-((4-fluoro-3-methoxy-5-methylphenyl)amino)-5-methylpyrimidin-4-yl)amino)benzo[d]oxazol-2(3H)-one | R105E71J13 | EX-A5899 | UNII-R1
Storage
Room temperature
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Size
Allemagne (EU)
USA*
Price
Qty
5mg
I610943-5mg
Sur commande · 8–12 semaines

644,64€

1 158,34€
Enregistrer 513,70 € (44.35%)
25mg
I610943-25mg
Sur commande · 8–12 semaines

1 488,09€

1 736,26€
Enregistrer 248,17 € (14.29%)
Enter a quantity for the sizes you want to add.
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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

Synonymes
5-((2-(4-Fluoro-3-methoxy-5-methylphenylamino)-5-methylpyrimidin-4-yl)amino)benzo(d)oxazol-2(3H)-one | ifidancitinib | 5-((2-((4-fluoro-3-methoxy-5-methylphenyl)amino)-5-methylpyrimidin-4-yl)amino)benzo[d]oxazol-2(3H)-one | R105E71J13 | EX-A5899 | UNII-R1
Spécifications et pureté
Moligand™
Conditions de stockage de stockage
Room temperature
Grade
Moligand™
Noms et identifiants
Sourires canoniquesCOc1cc(Nc2ncc(c(n2)Nc2ccc3c(c2)[nH]c(=O)o3)C)cc(c1F)C
IUPAC Name5-[[2-(4-fluoro-3-methoxy-5-methylanilino)-5-methylpyrimidin-4-yl]amino]-3H-1,3-benzoxazol-2-one
InChIKeyOYFMQDVLFYKOPZ-UHFFFAOYSA-N
INCHI1S/C20H18FN5O3/c1-10-6-13(8-16(28-3)17(10)21)24-19-22-9-11(2)18(26-19)23-12-4-5-15-14(7-12)25-20(27)29-15/h4-9H,1-3H3,(H,25,27)(H2,22,23,24,26)
Isomères SMILES CC1=CC(=CC(=C1F)OC)NC2=NC=C(C(=N2)NC3=CC4=C(C=C3)OC(=O)N4)C
PubChem CID 46851625

Documentation

📋 Safety Data Sheet (SDS)

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

Download SDS →

✅ Certificate of Analysis (COA)

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

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClasseBenzoxazoles
SubclassBenzoxazolones
Intermediate Tree Nodes Not available
Direct ParentBenzoxazolones
Alternative Parents Methoxyanilines  Phenoxy compounds  Methoxybenzenes  Anisoles  Toluenes  Fluorobenzenes  Aminopyrimidines and derivatives  Alkyl aryl ethers  Imidolactams  Aryl fluorides  Oxazoles  Heteroaromatic compounds  Secondary amines  Oxacyclic compounds  Azacyclic compounds  Organopnictogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzoxazolone - Methoxyaniline - Phenoxy compound - Methoxybenzene - Aniline or substituted anilines - Phenol ether - Anisole - Toluene - Halobenzene - Fluorobenzene - Aminopyrimidine - Alkyl aryl ether - Imidolactam - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Heteroaromatic compound - Oxazole - Azole - Oxacycle - Azacycle - Secondary amine - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzoxazolones. These are organic compounds containing a benzene fused to an oxazole ring (a five-member aliphatic ring with three carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group.
External Descriptors Not available
Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
JAK3 Tclin Tyrosine-protein kinase JAK3 (8349 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SYK Tclin Tyrosine-protein kinase SYK (7372 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
JAK1 Tclin Tyrosine-protein kinase JAK1 (8569 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
JAK2 Tclin Tyrosine-protein kinase JAK2 (12915 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TYK2 Tclin Tyrosine-protein kinase TYK2 (5029 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
JAK3 Tclin JAK3/JAK1 (270 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
JAK1 Tclin JAK2/JAK1 (79 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
JAK1 Tclin JAK1/TYK2 (259 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
Poids moléculaire395.400 g/mol
XLogP34.000
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass395.139 Da
Monoisotopic Mass395.139 Da
Topological Polar Surface Area97.400 Ų
Heavy Atom Count29
Formal Charge0
Complexity584.000
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
Calculateurs de solution
Avis

Avis des clients

Foire aux questions

What is Moligand??
Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.
How should this product be stored?
Store at room temperature.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 1236667-40-5. InChIKey OYFMQDVLFYKOPZ-UHFFFAOYSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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