GRADE & PURITY ≥98%

Synonyms

Benzothiazole, 2-(p-methoxyphenyl)- (6CI,7CI,8CI) | Benzothiazole, 2-(4-methoxyphenyl)- | NCGC00167617-02 | SMR000284381 | N1-(1,8-Dimethylimidazo[1,2-a]quinoxalin-4-yl)ethane-1,2-diamine hydrochloride | AKOS000273514 | M1654 | HMS1526L16 | 1-(2-Benzothia

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Benzothiazole, 2-(p-methoxyphenyl)- (6CI, 7CI, 8CI) | Benzothiazole, 2-(4-methoxyphenyl)- | NCGC00167617-02 | SMR000284381 | N1-(1, 8-Dimethylimidazo[1, 2-a]quinoxalin-4-yl)ethane-1, 2-diamine hydrochloride | AKOS000273514 | M1654 | HMS1526L16 | 1-(2-Benzothia

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488186941
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488186941
• Canonical Smiles: COC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2
• IUPAC Name: 2-(4-methoxyphenyl)-1,3-benzothiazole
• InChIKey: AOPZIJQISHFZBN-UHFFFAOYSA-N
• INCHI: 1S/C14H11NOS/c1-16-11-8-6-10(7-9-11)14-15-12-4-2-3-5-13(12)17-14/h2-9H,1H3
• Isomeric SMILES: COC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2
• RTECS: DL5330000
• Molecular Weight: 241.31
• Reaxy-Rn: 176359
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=176359&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzothiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzothiazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzothiazoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Thiazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-benzothiazole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

TYR Tclin Tyrosinase (717 Activities)

Discover Target: TYR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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HepG2 (196354 Activities)

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HeLa (62764 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

Discover Target: KDM4E

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

Discover Target: SMN1

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NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)

Discover Target: NPC1

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RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)

Discover Target: RAB9A

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microRNA 21 (64692 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

Discover Target: ATAD5

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Associated Targets(non-human)

Pkm Pyruvate kinase isozymes M1/M2 (66 Activities)

Discover Target: Pkm

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Plasmodium falciparum (966862 Activities)

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Luciferase (58 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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PYK Pyruvate kinase (6726 Activities)

Discover Target: PYK

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ddn Putative uncharacterized protein (49 Activities)

Discover Target: ddn

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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pvdQ PvdQ (215 Activities)

Discover Target: pvdQ

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Phosphoglycerate kinase, glycosomal (2184 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Toluene
• Melt Point(°C): 122 °C
• Molecular Weight: 241.310 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 241.056 Da
• Monoisotopic Mass: 241.056 Da
• Topological Polar Surface Area: 50.400 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 253.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Wei Wu, Jiaen Huang, Yuling Li, Jiaxi Chen, Xiaowei Kuang, Manzhen Ye, Rui Chen, Junli An, Zunnan Huang, Jing Sun.  (2025)  Endoplasmic Reticulum-Targeting Iridium(III) Complexes Induce Pyroptosis and Enhance Immunogenic Cell Death in MDA-MB-231 Cells.  JOURNAL OF MEDICINAL CHEMISTRY,      [PMID:40639936] [10.1021/acs.jmedchem.5c00883]

2. Dongbo Chen, Yu-e Shi, Song Shen, Song Liu, Dongpeng Yan, Zhenguang Wang.  (2025)  Achieving High-Temperature Resistant Afterglow by Modulating Dual-Mode Emission of Organic Emitters through Defects Engineering.  Small,      [PMID:40018796] [10.1002/smll.202409689]