ChemSpider 2D Image | SB 224289 | C32H32N4O3

SB 224289

  • Molecular FormulaC32H32N4O3
  • Average mass520.622 Da
  • Monoisotopic mass520.247437 Da
  • ChemSpider ID2623391

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1'-Methyl-6,7-dihydro-5H-spiro[furo[2,3-f]indole-3,4'-piperidin]-5-yl)[2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)-4-biphenylyl]methanone [ACD/IUPAC Name]
(1'-Methyl-6,7-dihydro-5H-spiro[furo[2,3-f]indole-3,4'-piperidin]-5-yl)[2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methanone
(2'-Methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-yl)(1'-methyl-6,7-dihydrospiro[furo[2,3-f]indole-3,4'-piperidin]-5(2H)-yl)methanone
180083-23-2 [RN]
Methanone, (6,7-dihydro-1'-methylspiro[2H-furo[2,3-f]indole-3(5H),4'-piperidin]-5-yl)[2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]- [ACD/Index Name]
SB 224289
(2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,1-biphenyl]-4-yl)(1-methyl-6,7-dihydrospiro[furo[2,3-f]indole-3,4-piperidin]-5(2h)-yl)methanone
[2'-Methyl-4'-(5-methyl-[1,2,4]oxadiazol-3-yl)-biphenyl-4-yl]-[3-(1-methyl-piperidine)-2,3,6,7-tetrahydro-1-oxa-5-aza-s-indacen-5-yl]-methanone
[2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl](2,5,6,7-tetrahydro-1'-methylspiro[3H-furo[2,3-f]indole-3,4'-piperidin]-5-yl)-methanone, monohydrochloride
[4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl]-(1'-methylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)methanone
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CHEBI:64069 [DBID]
F95C648W4N [DBID]
Lopac-S-201 [DBID]
NCGC00015918-01 [DBID]
NCGC00025052-01 [DBID]
nchembio873-comp52 [DBID]
Tocris-1221 [DBID]
UNII:F95C648W4N [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Safety:

      IRRITANT Matrix Scientific 095128
    • Chemical Class:

      A member of the class of benzamides obtained by formal condensation of the carboxy group of 2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-carboxylic acid with the secondary amino group of 1'- methyl-6,7-dihydro-5<element>H</element>-spiro[furo[2,3-<ital>f</ital>]indole-3,4'-piperidine]. Selective 5-HT<smallsub>1B</smallsub> receptor antagonist (pKi = 8.2). Displays <greaterthan/>60-fold se lectivity over 5-HT<smallsub>1D</smallsub>, 5-HT<smallsub>1A</smallsub>, 5-HT<smallsub>1E</smallsub>, 5-HT<smallsub>1F</smallsub>, 5-HT<smallsub>2A</smallsub> and 5-HT<smallsub>2C</smallsub> receptors in radioligand binding and functional assays. Centrally active following oral administration in vivo. ChEBI CHEBI:64069

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 724.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 392.2±35.7 °C
Index of Refraction: 1.689
Molar Refractivity: 148.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 1.30
ACD/BCF (pH 5.5): 1.05
ACD/KOC (pH 5.5): 4.82
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 5.60
ACD/KOC (pH 7.4): 25.69
Polar Surface Area: 72 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 71.1±5.0 dyne/cm
Molar Volume: 387.7±5.0 cm3

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