3-[(2-oxo-2,3-dihydro-1H-indol-3-ylidene)amino]-1-(oxolan-2-ylmethyl)thiourea , CAS No.519152-97-7

CAS: 519152-97-7 Cat. No.: D668861 Peso molecular: 304.37 PubChem CID: 4265268
Disponible para pedir
Synonyms
3-[(2-oxo-2,3-dihydro-1H-indol-3-ylidene)amino]-1-(oxolan-2-ylmethyl)thiourea | MLS000590727 | (2Z)-2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)-N-(tetrahydrofuran-2-ylmethyl)hydrazinecarbothioamide | SMR000219204 | 1-[(2-hydroxy-1H-indol-3-yl)imino]-3-(oxola
Storage
Room temperature
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Size
Estado
Price
Qty
1mg
D668861-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

571,90US$

999,90US$
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5mg
D668861-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

1.999,90US$

2.999,90US$
Guardar 1.000,00 US$ (33.33%)
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Why this grade

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

Sinónimos
3-[(2-oxo-2, 3-dihydro-1H-indol-3-ylidene)amino]-1-(oxolan-2-ylmethyl)thiourea | MLS000590727 | (2Z)-2-(2-oxo-1, 2-dihydro-3H-indol-3-ylidene)-N-(tetrahydrofuran-2-ylmethyl)hydrazinecarbothioamide | SMR000219204 | 1-[(2-hydroxy-1H-indol-3-yl)imino]-3-(oxola
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto
ALogP2.9
Nombres e identificadores
Sonrisas canónicasC1CC(OC1)CNC(=S)N=NC2=C(NC3=CC=CC=C32)O
IUPAC Name1-[(2-hydroxy-1H-indol-3-yl)imino]-3-(oxolan-2-ylmethyl)thiourea
InChIKeyGXGGNPLYHYNULU-UHFFFAOYSA-N
INCHI1S/C14H16N4O2S/c19-13-12(10-5-1-2-6-11(10)16-13)17-18-14(21)15-8-9-4-3-7-20-9/h1-2,5-6,9,16,19H,3-4,7-8H2,(H,15,21)
Isómeros SMILES C1CC(OC1)CNC(=S)N=NC2=C(NC3=CC=CC=C32)O
PubChem CID 4265268
Peso molecular 304.37

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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseIndoles and derivatives
SubclassHydroxyindoles
Intermediate Tree Nodes Not available
Direct ParentHydroxyindoles
Alternative Parents Indoles  Substituted pyrroles  Benzenoids  Oxolanes  Heteroaromatic compounds  Azo compounds  Propargyl-type 1,3-dipolar organic compounds  Oxacyclic compounds  Dialkyl ethers  Azacyclic compounds  Organosulfur compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Hydroxyindole - Indole - Substituted pyrrole - Benzenoid - Oxolane - Heteroaromatic compound - Pyrrole - Azo compound - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as hydroxyindoles. These are organic compounds containing an indole moiety that carries a hydroxyl group.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
UBE2N Tchem Ubiquitin-conjugating enzyme E2 N (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
HEK293 (82097 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
UBE2N Tchem Ubiquitin-conjugating enzyme E2 N (1570 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCL2A1 Tchem Bcl-2-related protein A1 (291 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LMNA Tbio Prelamin-A/C (36751 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hsf1 Heat shock factor protein 1 (5445 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Luciferin 4-monooxygenase (66902 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ffp 4'-phosphopantetheinyl transferase ffp (24982 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FTL Ferritin light chain (43324 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular304.370 g/mol
XLogP32.900
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass304.099 Da
Monoisotopic Mass304.099 Da
Topological Polar Surface Area114.000 Ų
Heavy Atom Count21
Formal Charge0
Complexity406.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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