Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7445921159
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 | 39 USD | 90 | 19 working days | Get Quote |
| 5 mg | 57 USD | 90 | 19 working days | Get Quote |
| 10 mg | 72 USD | 90 | 19 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-7445921159.sdf |
| SMILES | MCULE-7445921159.smiles |
| Standard InChI | MCULE-7445921159.inchi |
| InChIKey | MCULE-7445921159.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892863987 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-893609120 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 301 mg |
| P-895100518 | Angene | Building Blocks in stock | 99 | As is | 1 mg |
| P-888624608 | Key Organics | Building Blocks | 95 | As is | 1 mg |
| P-888174767 | Molnova | On demand | 98 | As is | by synthesis |
| P-424980869 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-12564862 | Specs | Screening Compounds | 90 | As is | 10 mg |
| P-869164434 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892300419 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-888659607 | TargetMol | Screening Compounds - stock amount | 95 | As is | 487 mg |
| P-903681980 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-424721207 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 160 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 445.472 |
| logP | 0.9166 |
| H-bond acceptors | 12 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 126.69 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 123.7657 |
| Atoms | 59 |
| Rings | 4 |
| Heavy atoms | 32 |
| Hydrogen atoms | 27 |
| Heteroatoms | 12 |
| N/O atoms | 12 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
