MCULE-7472387969
- 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 | 95 | 15 working days | Get Quote | 
| 5 mg | 58 USD | 90 | 22 working days | Get Quote | 
| 10 mg | 73 USD | 90 | 22 working days | Get Quote | 
- 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-7472387969.sdf | 
| SMILES | MCULE-7472387969.smiles | 
| Standard InChI | MCULE-7472387969.inchi | 
| InChIKey | MCULE-7472387969.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-867626555 | 96 | As is | in stock | 
| P-875788821 | N/A | As is | in stock | 
| P-869286100 | 95 | As is | in stock | 
| P-851700007 | N/A | As is | by synthesis | 
| P-596275433 | 90 | As is | 45 mg | 
| P-591054223 | 96 | As is | by synthesis | 
| P-874589163 | 90 | As is | 3 mg | 
| P-100736 | 90 | As is | 11 mg | 
| P-675522288 | 90 | As is | by synthesis | 
| P-502645362 | 90 | As is | in stock | 
| P-12838628 | 95 | As is | 126 mg | 
| P-864023718 | 95 | As is | by synthesis | 
| P-621081501 | 90 | As is | by synthesis | 
| P-491280027 | 95 | As is | by synthesis | 
| P-579247672 | 90 | As is | in stock | 
| P-903645561 | 94 | As is | by resynthesis (? - ? days) | 
| P-22443797 | 90 | As is | 10 mg | 
| P-25623997 | 90 | As is | 30 mg | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 264.299 | 
| logP | 3.3198 | 
| H-bond acceptors | 4 | 
| H-bond donors | 2 | 
| Rotatable bonds | 2 | 
| PSA | 82.98 | 
| RO5 violations | 0 | 
| RO3 violations | 3 | 
| Refractivity | 67.392 | 
| Atoms | 30 | 
| Rings | 2 | 
| Heavy atoms | 18 | 
| Hydrogen atoms | 12 | 
| Heteroatoms | 5 | 
| 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 | 

