Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1682652071
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 13 USD | 97 | 20 working days | Get Quote |
| 5 mg | 13 USD | 97 | 20 working days | Get Quote |
| 10 mg | 13 USD | 97 | 20 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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.
| Name | File |
|---|---|
| SDF | MCULE-1682652071.sdf |
| SMILES | MCULE-1682652071.smiles |
| Standard InChI | MCULE-1682652071.inchi |
| InChIKey | MCULE-1682652071.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867555654 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875714399 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590373388 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-489222068 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-597007115 | Angene | Building Blocks in stock | 97 | As is | 100 g |
| P-494338267 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864198948 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-889740903 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 3 g |
| P-590893017 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-893231761 | Biosynth | In Stock | 95 | As is | in stock |
| P-868653314 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-580271436 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-889287200 | FluoroChem | General BB | 95 | As is | in stock |
| P-870656097 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-503007756 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-596568458 | Key Organics | Building Blocks | 97 | As is | 5 g |
| P-31256609 | LaboTest | Screening Collection | 90 | As is | 2 g |
| P-854755766 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-596921138 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-611366171 | Toronto Research | In stock | 90 | As is | in stock |
| P-588760664 | VITAS M CHEMICAL LIMITED | Virtual synthesis library | N/A | As is | by synthesis |
| P-615420189 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 168.146 |
| logP | 0.8556 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 66.76 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 41.5358 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 8 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
