MCULE-1227142898-0
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
---|---|---|---|---|
1 mg | 72 USD | 90 | 30 working days | Get Quote |
5 mg | 84 USD | 90 | 30 working days | Get Quote |
10 mg | 90 USD | 95 | 25 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
-
1
MCULE-2761930940-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-1227142898-0.sdf |
SMILES | MCULE-1227142898-0.smiles |
Standard InChI | MCULE-1227142898-0.inchi |
InChIKey | MCULE-1227142898-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886602991 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-889923338 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-613846557 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-889802651 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-854873461 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-855346211 | Toronto Research | In stock | 90 | As is | in stock |
P-893794995 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-886582716 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
P-889913607 | AA Blocks | AA Blocks - synthesis | N/A | Main component | by synthesis |
P-874642665 | AK Scientific | Building Blocks | 97 | Main component | in stock |
P-889804413 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
P-890216337 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | Main component | in stock |
P-590338771 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | Main component | 1000 mg |
P-854910633 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
P-859993599 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
P-611570657 | Toronto Research | In stock | 90 | Main component | in stock |
P-893733095 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component | by synthesis |
Property | Value |
---|---|
Components | 2 |
Mass | 197.703 |
logP | 2.9562 |
H-bond acceptors | 1 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 12.03 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 58.4477 |
Atoms | 29 |
Rings | 2 |
Heavy atoms | 13 |
Hydrogen atoms | 16 |
Heteroatoms | 2 |
N/O atoms | 1 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |