1-(2,3-Dimethyl-indol-1-yl)-3-piperazin-1-yl-propan-2-ol

Base Information

• Chemical Name: 1-(2,3-Dimethyl-indol-1-yl)-3-piperazin-1-yl-propan-2-ol
• CAS No.: 801228-18-2
• Molecular Formula: C17H25N3O
• Molecular Weight: 287.4
• DSSTox Substance ID: DTXSID301199794
• ChEMBL ID: CHEMBL4173241
• Mol file: 801228-18-2.mol

Synonyms:1-(2,3-Dimethyl-indol-1-yl)-3-piperazin-1-yl-propan-2-ol;801228-18-2;1-(2,3-dimethyl-1H-indol-1-yl)-3-(piperazin-1-yl)propan-2-ol;1-(2,3-dimethylindol-1-yl)-3-piperazin-1-ylpropan-2-ol;CHEMBL4173241;BAS 09717471;DTXSID301199794;BDBM50278952;STK927698;AKOS000303496;AKOS016316300;SR-01000326585;SR-01000326585-1;2,3-Dimethyl-alpha-(1-piperazinylmethyl)-1H-indole-1-ethanol

Chemical Property of 1-(2,3-Dimethyl-indol-1-yl)-3-piperazin-1-yl-propan-2-ol

Chemical Property:

• PKA: 14.67±0.20(Predicted)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 287.199762429
• Heavy Atom Count: 21
• Complexity: 332

Purity/Quality:

98%min ^*data from raw suppliers

1-(2,3-Dimethyl-indol-1-yl)-3-piperazin-1-yl-propan-2-ol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(N(C2=CC=CC=C12)CC(CN3CCNCC3)O)C
• Uses: 1-(2,3-Dimethylindol-1-yl)-3-piperazin-1-ylpropan-2-ol can be used in fragment-based approach to identify IDO1 inhibitor for drug targetting in immune-oncology.