Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, 10mM in DMSO Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
AR-A014418 is a selective and effective GSK3β inhibitor with an IC 50 value of 104 +/- 27 nM; no significant inhibition on 26 other kinases.
| Canonical Smiles | COC1=CC=C(C=C1)CNC(=O)NC2=NC=C(S2)[N+](=O)[O-] |
|---|---|
| IUPAC Name | 1-[(4-methoxyphenyl)methyl]-3-(5-nitro-1,3-thiazol-2-yl)urea |
| InChIKey | YAEMHJKFIIIULI-UHFFFAOYSA-N |
| INCHI | 1S/C12H12N4O4S/c1-20-9-4-2-8(3-5-9)6-13-11(17)15-12-14-7-10(21-12)16(18)19/h2-5,7H,6H2,1H3,(H2,13,14,15,17) |
| Isomeric SMILES | COC1=CC=C(C=C1)CNC(=O)NC2=NC=C(S2)[N+](=O)[O-] |
| WGK Germany | 3 |
| Molecular Weight | 308.31 |
| Reaxy-Rn | 12668226 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12668226&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Thiazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Nitrothiazoles |
| Alternative Parents | Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes 2,5-disubstituted thiazoles Alkyl aryl ethers Heteroaromatic compounds Ureas Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic zwitterions Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenoxy compound - Nitroaromatic compound - Anisole - Nitrothiazole - Methoxybenzene - Phenol ether - 2,5-disubstituted 1,3-thiazole - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Carbonic acid derivative - Urea - Ether - Azacycle - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Organic zwitterion - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as nitrothiazoles. These are compounds containing a thiazole ring which bears a nitro group. |
| External Descriptors | C-nitro compound - ureas - 1,3-thiazole |
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| Melt Point(°C) | 211-213oC |
|---|---|
| Molecular Weight | 308.320 g/mol |
| XLogP3 | 2.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 308.058 Da |
| Monoisotopic Mass | 308.058 Da |
| Topological Polar Surface Area | 137.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 371.000 |
| 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 |
| 1. Xiangling Yi, Liming Wang, Xiao-yue Wang, Yu Fang, Jiarui Liu, Kehong Chen, Ya-ni He, Jia Chen. (2025) Decoy Receptor 2 as a Cell Cycle Arrest Biomarker for Predicting Renal Recovery Following Acute Kidney Injury. JOURNAL OF CELLULAR AND MOLECULAR MEDICINE, 29 (16): (e70800). [PMID:40845179] [10.1111/jcmm.70800] |
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