Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4466176678-0
Structure
Show compound
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 | 325 USD | 90 | 22 working days | Get Quote |
| 5 mg | 325 USD | 90 | 22 working days | Get Quote |
| 10 mg | 538 USD | 95 | 42 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-2500670991-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4466176678-0.sdf |
| SMILES | MCULE-4466176678-0.smiles |
| Standard InChI | MCULE-4466176678-0.inchi |
| InChIKey | MCULE-4466176678-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867420746 | A2B Chem | Predominantly Building Block on demand | 98 | As is | by synthesis |
| P-610989655 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 270 mg |
| P-851767681 | AmBeed | On request | N/A | As is | by synthesis |
| P-864263608 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-590966742 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-860799816 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-887199207 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-580415773 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-886926125 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-860655304 | A2B Chem | Predominantly Building Block on demand | 98 | As a main component | by synthesis |
| P-851639838 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-590980547 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
| P-851314727 | Chemshuttle | On request catalog | 95 | As a main component | by synthesis |
| P-868079243 | Hangzhou Apichem | Building Blocks in stock | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 286.372 |
| logP | 2.8894 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 75.01 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 87.5006 |
| Atoms | 43 |
| Rings | 3 |
| Heavy atoms | 21 |
| Hydrogen atoms | 22 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
