4-[4-(4-Tert-butylphenyl)sulfonylpiperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine - 10mM in DMSO , CAS No.393129-91-4

CAS: 393129-91-4 Cat. No.: T423814 Peso molecular: 444.6 PubChem CID: 1276160
Disponible para pedir
GRADE & PURITY 10mM in DMSO
Synonyms
4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-5,6-dimethyl-thieno[2,3-d]pyrimidine | 4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine | 4-[4-(4-tert-butylphenyl)sulfonylpiperazino]-5,6-dimethyl-thieno[2,3-d]pyrimidin
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1ml
T423814-1ml
2

90,90US$

106,90US$
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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.

📚

Literature proof

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

Descripción general

5-Hydroxytryptamine 2B Receptor Antagonists; 5-HT2B antagonists; neuronal voltage-gated sodium channel blockers;

Specifications

Sinónimos
4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-5, 6-dimethyl-thieno[2, 3-d]pyrimidine | 4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-5, 6-dimethylthieno[2, 3-d]pyrimidine | 4-[4-(4-tert-butylphenyl)sulfonylpiperazino]-5, 6-dimethyl-thieno[2, 3-d]pyrimidin
Especificaciones y pureza
10mM in DMSO
Condiciones de almacenamiento de almacenamiento
Store at -80°C
Enviado en
Dry ice packs + Cold packs
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Tipo de acción
ANTAGONIST
Propiedades del producto
ALogP1.707
Recuento HBD3
Enlace rotable2
Nombres e identificadores
Sonrisas canónicasCC1=C(SC2=NC=NC(=C12)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)C
IUPAC Name4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
InChIKeyVDTGYRUIQQDQTL-UHFFFAOYSA-N
INCHI1S/C22H28N4O2S2/c1-15-16(2)29-21-19(15)20(23-14-24-21)25-10-12-26(13-11-25)30(27,28)18-8-6-17(7-9-18)22(3,4)5/h6-9,14H,10-13H2,1-5H3
Isómeros SMILES CC1=C(SC2=NC=NC(=C12)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)C
PubChem CID 1276160
Peso molecular 444.6

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
ClaseDiazinanes
SubclassPiperazines
Intermediate Tree Nodes Not available
Direct ParentN-arylpiperazines
Alternative Parents Benzenesulfonamides  Thienopyrimidines  Phenylpropanes  Benzenesulfonyl compounds  Dialkylarylamines  Aminopyrimidines and derivatives  Organosulfonamides  Imidolactams  Thiophenes  Sulfonyls  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents N-arylpiperazine - Benzenesulfonamide - Phenylpropane - Benzenesulfonyl group - Thienopyrimidine - Dialkylarylamine - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Organosulfonic acid amide - Imidolactam - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Thiophene - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
PTH1R Tclin Parathyroid hormone receptor (47172 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
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GLI1 Tchem Zinc finger protein GLI1 (201 Activities)
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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
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Objetivos asociados (no humanos)
INS1 (2867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Wnt3a Protein Wnt-3a (429 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 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
DMSO (mM) Solubilidad máxima10
Peso molecular444.600 g/mol
XLogP35.100
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass444.165 Da
Monoisotopic Mass444.165 Da
Topological Polar Surface Area103.000 Ų
Heavy Atom Count30
Formal Charge0
Complexity689.000
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
Calculadoras de soluciones
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