WAY-324979 - ≥98% , CAS No.221120-57-6

CAS: 221120-57-6 Cat. No.: W418364 Formula: C14H13ClN4S Molecular Weight: 304.79782 PubChem CID: 712811
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
3-[(2-Chlorobenzyl)thio]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine
Storage
Store at 2-8°C
Shipped In
Wet ice
★
Size
Germany (EU)
USA*
Price
Qty
5mg
W418364-5mg
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3 In stock

€23.34

€35.49
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25mg
W418364-25mg
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3 In stock

€86.69

€130.07
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100mg
W418364-100mg
—
2 In stock

€275.85

€413.82
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250mg
W418364-250mg
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2 In stock

€466.76

€700.18
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1g
W418364-1g
—
2 In stock

€1,258.13

€1,887.25
Save €629.11 (33.33%)
Enter a quantity for the sizes you want to add.
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Why this grade

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

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

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

📚

Literature proof

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

Overview

MicroRNA modulators; altering the lifespan of a eukaryotic organism;

Specifications

Synonyms
3-[(2-Chlorobenzyl)thio]-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine
Specifications & Purity
≥98%
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥98%
Product Properties
alogp
4.116
rotatable_bond
3
Names and Identifiers
Pubchem Sid
Canonical Smiles
CC1=CC(=NC2=NN=C(N12)SCC3=CC=CC=C3Cl)C
IUPAC Name
3-[(2-chlorophenyl)methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine
InChIKey
DTXISKFUVTXHTD-UHFFFAOYSA-N
INCHI
1S/C14H13ClN4S/c1-9-7-10(2)19-13(16-9)17-18-14(19)20-8-11-5-3-4-6-12(11)15/h3-7H,8H2,1-2H3
Isomeric SMILES
CC1=CC(=NC2=NN=C(N12)SCC3=CC=CC=C3Cl)C
PubChem CID
712811
Molecular Weight
304.79782

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
ClassTriazolopyrimidines
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentTriazolopyrimidines
Alternative Parents Chlorobenzenes  Alkylarylthioethers  Pyrimidines and pyrimidine derivatives  Aryl chlorides  Triazoles  Heteroaromatic compounds  Sulfenyl compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Triazolopyrimidine - Aryl thioether - Chlorobenzene - Halobenzene - Alkylarylthioether - Aryl halide - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Aryl chloride - Heteroaromatic compound - 1,2,4-triazole - Triazole - Azole - Azacycle - Sulfenyl compound - Thioether - Organopnictogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as triazolopyrimidines. These are polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
microRNA 30a (159 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FTL Ferritin light chain (43324 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NS1 Nonstructural protein 1 (33327 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.

6 results found

Lot NumberCertificate TypeDateItem
G2310861Certificate of AnalysisApr 07, 2026 W418364
G2310863Certificate of AnalysisApr 07, 2026 W418364
G2310864Certificate of AnalysisApr 07, 2026 W418364
G2310874Certificate of AnalysisApr 07, 2026 W418364
G2310881Certificate of AnalysisApr 07, 2026 W418364
K2521195Certificate of AnalysisJun 16, 2023 W418364
Chemical and Physical Properties
dmso_mM_max_solubility10
Molecular Weight304.800 g/mol
XLogP34.300
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass304.055 Da
Monoisotopic Mass304.055 Da
Topological Polar Surface Area68.400 Ų
Heavy Atom Count20
Formal Charge0
Complexity332.000
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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