CFT7455 - Moligand™ , CAS No.2504235-67-8

CAS: 2504235-67-8 Cat. No.: C608487

GRADE & PURITY Moligand™

Synonyms

CFT 7455 [WHO-DD] | SCHEMBL22549709 | 2,6-Piperidinedione, 3-(6-((4-(4-morpholinylmethyl)phenyl)methyl)-2-oxobenz(cd)indol-1(2H)-yl)-, (3S)- | NSC840579 | NSC-840579 | GLXC-26095 | (S)-CFT7455 | (3S)-3-(6-{[4-(morpholin-4-ylmethyl)phenyl]methyl}-2-oxobenz

Storage

Room temperature

Application

PROTAC

Specifications

Sinónimos

CFT 7455 [WHO-DD] | SCHEMBL22549709 | 2,6-Piperidinedione, 3-(6-((4-(4-morpholinylmethyl)phenyl)methyl)-2-oxobenz(cd)indol-1(2H)-yl)-, (3S)- | NSC840579 | NSC-840579 | GLXC-26095 | (S)-CFT7455 | (3S)-3-(6-{[4-(morpholin-4-ylmethyl)phenyl]methyl}-2-oxobenz

Especificaciones y pureza

Moligand™

Condiciones de almacenamiento de almacenamiento

Room temperature

Grado

Moligand™

Nombres e identificadores

• Sonrisas canónicas: O=c1n([C@H]2CCC(=O)NC2=O)c2ccc(Cc3ccc(CN4CCOCC4)cc3)c3cccc1c23
• IUPAC Name: (3S)-3-[6-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
• InChIKey: MUKCJOOKCZSQNW-DEOSSOPVSA-N
• INCHI: 1S/C28H27N3O4/c32-25-11-10-24(27(33)29-25)31-23-9-8-20(21-2-1-3-22(26(21)23)28(31)34)16-18-4-6-19(7-5-18)17-30-12-14-35-15-13-30/h1-9,24H,10-17H2,(H,29,32,33)/t24-/m0/s1
• Isómeros SMILES: C1CC(=O)NC(=O)[C@H]1N2C3=C4C(=C(C=C3)CC5=CC=C(C=C5)CN6CCOCC6)C=CC=C4C2=O
• Reaxy-Rn: 36734716
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=36734716&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthalenes
      • Subclass Naphthalenecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthalenes
• Subclass: Naphthalenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenecarboxamides
• Alternative Parents: Isoindolones Alpha amino acids and derivatives Indoles and derivatives Piperidinediones Phenylmethylamines Benzylamines Delta lactams Aralkylamines N-acyl amines Morpholines Tertiary carboxylic acid amides N-unsubstituted carboxylic acid imides Dicarboximides Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1-naphthalenecarboxamide - Isoindolone - Alpha-amino acid or derivatives - Isoindole or derivatives - Indole or derivatives - Piperidinedione - Phenylmethylamine - Benzylamine - Aralkylamine - Piperidinone - Delta-lactam - Piperidine - Oxazinane - N-acyl-amine - Morpholine - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Carboxylic acid imide, n-unsubstituted - Dicarboximide - Carboxylic acid imide - Tertiary aliphatic amine - Tertiary amine - Lactam - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as naphthalenecarboxamides. These are compounds containing a naphthalene moiety, which bears a carboxylic acid amide group at one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene rings.
• 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

Propiedades químicas y físicas

• Peso molecular: 469.500 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 469.2 Da
• Monoisotopic Mass: 469.2 Da
• Topological Polar Surface Area: 79.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 819.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Preguntas frecuentes

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2504235-67-8. InChIKey MUKCJOOKCZSQNW-DEOSSOPVSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.