MCULE-1220780884-0
- 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 | 35 USD | 90 | 17 working days | Get Quote |
5 mg | 35 USD | 90 | 17 working days | Get Quote |
10 mg | 41 USD | 90 | 17 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.
-
MCULE-7440913280-0
- Component type: Main
-
MCULE-3374177825-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-1220780884-0.sdf |
SMILES | MCULE-1220780884-0.smiles |
Standard InChI | MCULE-1220780884-0.inchi |
InChIKey | MCULE-1220780884-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886583080 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-889913873 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-612942859 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-596518963 | Asinex | General bb catalog | 90 | As is | unavailable |
P-889808580 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-666898205 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
P-861384575 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-492225453 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-613279482 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
P-852387502 | Matrix Scientific | All | N/A | As is | in stock |
P-896168049 | Specs | Screening Compounds | 90 | As is | unavailable |
P-855247940 | Toronto Research | In stock | 90 | As is | in stock |
P-893722279 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-892975031 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
P-617326091 | Alinda | Stock Screening Compounds | 90 | As a main component | in stock |
P-584596789 | Alinda | Building Blocks | 95 | As a main component | in stock |
P-892488719 | Asinex | General screening catalog | 90 | As a main component | 1000 mg |
P-617653746 | ChemDiv | Building Blocks on demand | 90 | As a main component | by synthesis |
P-674290403 | ChemDiv | Building Blocks in stock | 90 | As a main component | in stock |
P-619317804 | ChemDiv | Discovery Chemistry Library | 90 | As a main component | 15 mg |
P-34686375 | Crea-Chim | HTS compounds | 90 | As a main component | unavailable |
P-580786091 | Crea-Chim | Building Blocks | 90 | As a main component | by resynthesis (? - ? days) |
P-852395450 | Matrix Scientific | All | N/A | As a main component | in stock |
P-18942812 | Princeton Biomolecular Research | Screening Compounds | 90 | As a main component | in stock |
P-873214624 | TimTec | Building Block Collection | 90 | As a main component | in stock |
P-611436482 | Toronto Research | In stock | 90 | As a main component | in stock |
P-617736943 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 173 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 188.269 |
logP | 2.9862 |
H-bond acceptors | 2 |
H-bond donors | 2 |
Rotatable bonds | 2 |
PSA | 41.81 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 60.7111 |
Atoms | 30 |
Rings | 2 |
Heavy atoms | 14 |
Hydrogen atoms | 16 |
Heteroatoms | 2 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 0 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |