SDZ 21009 , CAS No.39731-05-0

CAS: 39731-05-0 Cat. No.: S288286 Fórmula: C19H28N2O4 Peso molecular: 348.44 PubChem CID: 193949
Disponível para encomenda
Synonyms
SR-01000597604 | ISOPROPYL (+/-)-4-(3-(TERT-BUTYLAMINO)-2-HYDROXYPROPOXY)INDOLE-2-CARBOXYLATE | 4-[3-[(1,1-DIMETHYLETHYL)AMINO]-2-HYDROXYPROPOXY]-1H-INDOLE-2-CARBOXYLIC ACID, 1-METHYLETHYL ESTER | Isopropyl (+-)-4-(3-(tert-butylamino)-2-hydroxypropoxy)ind
Storage
Room temperature
Shipped In
Normal
★
Size
Alemanha (EU)
USA*
Price
Qty
10mg
S288286-10mg
Sob encomenda · 8–12 semanas
289,74€
50mg
S288286-50mg
Sob encomenda · 8–12 semanas
1189,58€
Enter a quantity for the sizes you want to add.
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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 Normal 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
SR-01000597604 | ISOPROPYL (+/-)-4-(3-(TERT-BUTYLAMINO)-2-HYDROXYPROPOXY)INDOLE-2-CARBOXYLATE | 4-[3-[(1,1-DIMETHYLETHYL)AMINO]-2-HYDROXYPROPOXY]-1H-INDOLE-2-CARBOXYLIC ACID, 1-METHYLETHYL ESTER | Isopropyl (+-)-4-(3-(tert-butylamino)-2-hydroxypropoxy)ind
Mecanismos bioquímicos e fisiológicos
β-adrenoceptor and 5-HT1A/1Breceptor antagonist. pKB/pA2values are 8.3 and 8.0 for 5-HT1Aand 5-HT1Breceptors respectively. Centrally active following systemic administrationin vivo.
Condições de armazenamento de armazenamento
Room temperature
Enviado em
Normal
Nomes e identificadores
Sorrisos canónicosCC(C)OC(=O)C1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)O
IUPAC Namepropan-2-yl 4-[3-(tert-butylamino)-2-hydroxypropoxy]-1H-indole-2-carboxylate
InChIKeySJYFDORQYYEJLB-UHFFFAOYSA-N
INCHI1S/C19H28N2O4/c1-12(2)25-18(23)16-9-14-15(21-16)7-6-8-17(14)24-11-13(22)10-20-19(3,4)5/h6-9,12-13,20-22H,10-11H2,1-5H3
SMILES isoméricas CC(C)OC(=O)C1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)O
PubChem CID 193949
Peso molecular 348.44

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
ClasseIndoles and derivatives
SubclassIndolecarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentIndolecarboxylic acids and derivatives
Alternative Parents Indoles  Pyrrole carboxylic acids and derivatives  Alkyl aryl ethers  Substituted pyrroles  Benzenoids  Heteroaromatic compounds  Secondary alcohols  1,2-aminoalcohols  Amino acids and derivatives  Carboxylic acid esters  Monocarboxylic acids and derivatives  Dialkylamines  Azacyclic compounds  Hydrocarbon derivatives  Organic oxides  Organopnictogen compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Indolecarboxylic acid derivative - Indole - Pyrrole-2-carboxylic acid or derivatives - Alkyl aryl ether - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Secondary aliphatic amine - Ether - Azacycle - Monocarboxylic acid or derivatives - Secondary amine - Organic oxygen compound - Alcohol - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (não humanos)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriedades químicas e físicas
SolubilidadeSolvent:ethanol, Max Conc. mg/mL: 34.84, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 34.84, Max Conc. mM: 100
Peso molecular348.400 g/mol
XLogP32.900
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass348.205 Da
Monoisotopic Mass348.205 Da
Topological Polar Surface Area83.600 Ų
Heavy Atom Count25
Formal Charge0
Complexity436.000
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 soluções
Revisões

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