WAY-296631 - 10mM in DMSO , CAS No.61750-21-8

CAS: 61750-21-8 Cat. No.: W425111 Summenformel: C₁₁H₁₂BrNOS Molekulargewicht: 286.19 PubChem CID: 812266

GRADE & PURITY 10mM in DMSO

Synonyms

61750-21-8|(4-bromophenyl)-morpholin-4-ylmethanethione|4-(4-Bromothiobenzoyl)morpholine|(4-BROMOPHENYL)(MORPHOLINO)METHANETHIONE|Morpholine, 4-[(4-bromophenyl)thioxomethyl]-|STK221374|(4-bromophenyl)(morpholin-4-yl)methanethione|SCHEMBL8424996|CHEMBL22627

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

monoglyceride lipase inhibitors

Specifications

Synonyme

61750-21-8 | (4-bromophenyl)-morpholin-4-ylmethanethione | 4-(4-Bromothiobenzoyl)morpholine | (4-BROMOPHENYL)(MORPHOLINO)METHANETHIONE | Morpholine, 4-[(4-bromophenyl)thioxomethyl]- | STK221374 | (4-bromophenyl)(morpholin-4-yl)methanethione | SCHEMBL8424996 | CHEMBL22627

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Produkteigenschaften

ALogP

3.103

Rotationsfähige Bindung

2

Namen und Kennungen

Pubchem Sid

528767766

Kanonisches Lächeln

C1COCCN1C(=S)C2=CC=C(C=C2)Br

IUPAC Name

(4-bromophenyl)-morpholin-4-ylmethanethione

InChIKey

ODPCYSHKSFQFRK-UHFFFAOYSA-N

INCHI

1S/C11H12BrNOS/c12-10-3-1-9(2-4-10)11(15)13-5-7-14-8-6-13/h1-4H,5-8H2

Isomere SMILES

C1COCCN1C(=S)C2=CC=C(C=C2)Br

PubChem CID

812266

Molekulargewicht

286.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromobenzenes
• Alternative Parents: Morpholines Aryl bromides Thioamides Thiocarboxylic acid amides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Thiocarbonyl compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bromobenzene - Aryl bromide - Aryl halide - Morpholine - Oxazinane - Thioamide - Dialkyl ether - Ether - Oxacycle - Azacycle - Thiocarboxylic acid amide - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Thiocarbonyl group - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
• 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

Zugehörige Ziele (nicht menschlich)

Faah Anandamide amidohydrolase (3907 Activities)

Discover Target: Faah

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 286.190 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 284.982 Da
• Monoisotopic Mass: 284.982 Da
• Topological Polar Surface Area: 44.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 223.000
• 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