Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7287658845
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 | 156 USD | 95 | 20 working days | Get Quote |
| 5 mg | 156 USD | 95 | 20 working days | Get Quote |
| 10 mg | 156 USD | 95 | 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.
-
MCULE-4416566731
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-7287658845.sdf |
| SMILES | MCULE-7287658845.smiles |
| Standard InChI | MCULE-7287658845.inchi |
| InChIKey | MCULE-7287658845.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867422021 | A2B Chem | Predominantly Building Block on demand | 90 | As is | by synthesis |
| P-580256364 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-851516047 | AmBeed | On request | N/A | As is | by synthesis |
| P-590783831 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-524174455 | Key Organics | Building Blocks | 95 | As is | unavailable |
| P-563387523 | Key Organics | Building Blocks | 95 | As is | 250 mg |
| P-563424105 | Key Organics | Building Blocks | 95 | As is | 250 mg |
| P-491338852 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-886925627 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-886705636 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
| P-890179503 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
| P-875905328 | AmBeed | In stock | N/A | As a main component | in stock |
| P-489146220 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As a main component | in stock |
| P-888825899 | Angene | Building Blocks in stock | 95 | As a main component | 3.05 g |
| P-889593063 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
| P-873437172 | BLD pharm | In-stock building blocks | 95 | As a main component | 3.05 g |
| P-889731644 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
| P-890221982 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As a main component | in stock |
| P-865986174 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As a main component | in stock |
| P-563421243 | Key Organics | Building Blocks | 95 | As a main component | 250 mg |
| P-563421244 | Key Organics | Building Blocks | 95 | As a main component | 250 mg |
| P-886910855 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 103.120 |
| logP | -1.3598 |
| H-bond acceptors | 3 |
| H-bond donors | 3 |
| Rotatable bonds | 0 |
| PSA | 52.49 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 28.2683 |
| Atoms | 16 |
| Rings | 1 |
| Heavy atoms | 7 |
| Hydrogen atoms | 9 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
