Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7169523127
Compound
Show structures
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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 35 USD | 90 | 17 working days | Get Quote |
| 10 mg | 41 USD | 90 | 17 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-7169523127.sdf |
| SMILES | MCULE-7169523127.smiles |
| Standard InChI | MCULE-7169523127.inchi |
| InChIKey | MCULE-7169523127.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867418338 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-867451466 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-425134692 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-489116830 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-580759953 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-500418283 | Glentham Life Sciences | Compounds maintained in stock | 98 | As is | in stock |
| P-608221007 | Glentham Life Sciences | Compounds maintained in stock | 98 | As is | in stock |
| P-890851958 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-890852047 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-890852189 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-596587492 | Key Organics | Building Blocks | 90 | As is | 500 mg |
| P-881189973 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-881189596 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-881189350 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-893203638 | Otava | In-House Stock Library | 90 | As is | 600 mg |
| P-868120643 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 8.165 g |
| P-23969064 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-888602934 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-1885918 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 647 mg |
| P-3226668 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 647 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 435.518 |
| logP | 4.1617 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 11 |
| PSA | 112.07 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 122.9535 |
| Atoms | 61 |
| Rings | 3 |
| Heavy atoms | 32 |
| Hydrogen atoms | 29 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
