STF 118804 - ≥98%(HPLC) , CAS No.894187-61-2

CAS: 894187-61-2 Cat. No.: S287747 Molecular Weight: 461.53 PubChem CID: 20916937
AVAILABLE TO ORDER
GRADE & PURITY ≥98%(HPLC)
Synonyms
4-[5-Methyl-4-[[(4-methylphenyl)sulfonyl]methyl]-2-oxazolyl]-N-(3-pyridinylmethyl)benzamide | 4-(5-Methyl-4-(tosylmethyl)oxazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide | 4-[5-Methyl-4-[[(4-methylphenyl)sulfonyl]methyl]-2-oxazolyl]-N-(3-pyridinylmethyl)-benz
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
S287747-5mg
3

$35.90

$53.90
Save $18.00 (33.40%)
10mg
S287747-10mg
2

$64.90

$97.90
Save $33.00 (33.71%)
25mg
S287747-25mg
4

$141.90

$212.90
Save $71.00 (33.35%)
50mg
S287747-50mg
1

$254.90

$382.90
Save $128.00 (33.43%)
100mg
S287747-100mg
1

$458.90

$688.90
Save $230.00 (33.39%)
200mg
S287747-200mg
1

$824.90

$1,237.90
Save $413.00 (33.36%)
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Why this grade

≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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
4-[5-Methyl-4-[[(4-methylphenyl)sulfonyl]methyl]-2-oxazolyl]-N-(3-pyridinylmethyl)benzamide | 4-(5-Methyl-4-(tosylmethyl)oxazol-2-yl)-N-(pyridin-3-ylmethyl)benzamide | 4-[5-Methyl-4-[[(4-methylphenyl)sulfonyl]methyl]-2-oxazolyl]-N-(3-pyridinylmethyl)-benz
Specifications & Purity
≥98%(HPLC)
Biochemical and Physiological Mechanisms
NAMPT inhibitor (nicotinamide phosphoribosyltransferase, visfatin, PBEF1); inhibits NAD+synthesis from nicotinamide. Potently inhibits the viability of multiple B-cell acute lymphoplastic leukemia (B-ALL) cell lines (IC50< 10 nM); induces apoptosis in MF-
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98%(HPLC)
Names and Identifiers
Pubchem Sid488199838
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488199838
Canonical SmilesCC1=CC=C(C=C1)S(=O)(=O)CC2=C(OC(=N2)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4)C
IUPAC Name4-[5-methyl-4-[(4-methylphenyl)sulfonylmethyl]-1,3-oxazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide
InChIKeyDLFCEZOMHBPDGI-UHFFFAOYSA-N
INCHI1S/C25H23N3O4S/c1-17-5-11-22(12-6-17)33(30,31)16-23-18(2)32-25(28-23)21-9-7-20(8-10-21)24(29)27-15-19-4-3-13-26-14-19/h3-14H,15-16H2,1-2H3,(H,27,29)
Isomeric SMILES CC1=CC=C(C=C1)S(=O)(=O)CC2=C(OC(=N2)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4)C
PubChem CID 20916937
Molecular Weight 461.53

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
ClassAzoles
SubclassOxazoles
Intermediate Tree Nodes Not available
Direct ParentPhenyl-1,3-oxazoles
Alternative Parents Tosyl compounds  Benzenesulfonyl compounds  Benzamides  Benzoyl derivatives  2,4,5-trisubstituted oxazoles  Pyridines and derivatives  Sulfones  Heteroaromatic compounds  Secondary carboxylic acid amides  Oxacyclic compounds  Azacyclic compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Phenyl-1,3-oxazole - Tosyl compound - Benzamide - Benzenesulfonyl group - Benzoic acid or derivatives - 2,4,5-trisubstituted 1,3-oxazole - Benzoyl - Toluene - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Sulfonyl - Sulfone - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by a phenyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
K562 (73714 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NALM-6 (592 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BJ (6930 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-231 (73002 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MV4-11 (7307 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KOPN-8 (317 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SUM149PT (97 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SUP-B15 (167 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SARS-CoV-2 (38078 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:

Find and download the COA for your product by matching the lot number on the packaging.

12 results found

Lot NumberCertificate TypeDateItem
D23062129Certificate of AnalysisJan 21, 2026 S287747
D23062132Certificate of AnalysisJan 21, 2026 S287747
D23062134Certificate of AnalysisJan 21, 2026 S287747
D23062135Certificate of AnalysisJan 21, 2026 S287747
D23062136Certificate of AnalysisJan 21, 2026 S287747
D23062138Certificate of AnalysisJan 21, 2026 S287747
D23062139Certificate of AnalysisJan 21, 2026 S287747
D23062140Certificate of AnalysisJan 21, 2026 S287747
D23062141Certificate of AnalysisJan 21, 2026 S287747
D23062143Certificate of AnalysisJan 21, 2026 S287747
D23062146Certificate of AnalysisJan 21, 2026 S287747
D23062137Certificate of AnalysisFeb 13, 2023 S287747

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Chemical and Physical Properties
SolubilitySolvent:DMSO, Max Conc. mg/mL: 46.15, Max Conc. mM: 100
Molecular Weight461.500 g/mol
XLogP33.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass461.141 Da
Monoisotopic Mass461.141 Da
Topological Polar Surface Area111.000 Ų
Heavy Atom Count33
Formal Charge0
Complexity739.000
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
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