Basic information
- CAS
196965-14-7- Standard SMILES
CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2- InChIKey
OQZOXHCRSXYSPM-UHFFFAOYSA-N- Molecular formula
- C16H14F3N3OS
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.08096774
Overview
SB 221284 is an indolyl carboxylic acid.
Names & identifiers
- Preferred name
- SB 221284
- IUPAC
- 5-methylsulfanyl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
- English name
- SB 221284
- Molecular formula
- C16H14F3N3OS
- Molecular weight
- 353.36
Names & synonyms
SB 221284196965-14-7SB-2212845-methylsulfanyl-N-pyridin-3-yl-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamideDTXSID503320805-methylsulfanyl-N-(3-pyridyl)-6-(trifluoromethyl)indoline-1-carboxamideRefChem:181551DTXCID00283174SB221284Tocris-13795-(Methylthio)-N-(pyridin-3-yl)-6-(trifluoromethyl)indoline-1-carboxamideCHEMBL276140
Show more names
5-(METHYLTHIO)-1-(3-PYRIDYLCARBAMOYL)-6-(TRIFLUOROMETHYL)INDOLINE1H-Indole-1-carboxamide, 2,3-dihydro-5-(methylthio)-N-3-pyridinyl-6-(trifluoromethyl)-
2,3-DIHYDRO-5-(METHYLTHIO)-N-3-PYRIDINYL-6-(TRIFLUOROMETHYL)-(1H)-INDOLE-1-CARBOXAMIDE2,3-Dihydro-5-(methylthio)-N-3-pyridinyl-6-(trifluoromethyl)-1H-indole-1-carboxamideOQZOXHCRSXYSPM-UHFFFAOYSA-NGTPL191CHEBI:8978orb1704093SCHEMBL8431394SCHEMBL29766909
Database identifiers
- CAS
196965-14-7- PubChem CID
- 443389
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 70.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 462
Physicochemical properties
- Melting point
- 262 · 262-264 °C
- Boiling point
- 536.2 · 536.2±50.0 °C(Predicted)
- Density
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- storage temp.
- 4 °C · Store at +4°C
- solubility
- 14 mg/mL, · DMSO: ~14 mg/mL, soluble
- pka
- 13.13 · 13.13±0.20(Predicted)
- form
- solid
- color
- white
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
Chemistry & industry
Applications
UsesSB 221284 is a potent, selective SR-2C/SR-2B antagonist.
Suppliers9 total
Aladdin Scientific[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
BOC Sciences[email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
Additional notes
DefinitionChEBI: SB 221284 is an indolyl carboxylic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…