MCULE-4581179135-0
- 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 | 6 USD | 98 | 22 working days | Get Quote | 
| 5 mg | 6 USD | 98 | 22 working days | Get Quote | 
| 10 mg | 6 USD | 98 | 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-4581179135-0.sdf | 
| SMILES | MCULE-4581179135-0.smiles | 
| Standard InChI | MCULE-4581179135-0.inchi | 
| InChIKey | MCULE-4581179135-0.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-867581441 | 98 | As is | in stock | 
| P-875740337 | N/A | As is | in stock | 
| P-579762083 | 98 | As is | in stock | 
| P-903070512 | 97 | As is | 1000 g | 
| P-893466169 | 90 | As is | 3.29245 kg | 
| P-580237877 | 95 | As is | by synthesis | 
| P-606891900 | N/A | As is | in stock | 
| P-489184583 | 97 | As is | in stock | 
| P-596952678 | 97 | As is | 700 g | 
| P-895944557 | 95 | As is | by resynthesis (? - ? days) | 
| P-895931302 | 95 | As is | by resynthesis (? - ? days) | 
| P-864139474 | 97 | As is | in stock | 
| P-580726866 | 98 | As is | 631 g | 
| P-893221550 | 95 | As is | in stock | 
| P-454660596 | 90 | As is | in stock | 
| P-4928236 | 90 | As is | 7 mg | 
| P-104761 | 90 | As is | 579 mg | 
| P-436474787 | 95 | As is | 200 g | 
| P-868615839 | 98 | As is | in stock | 
| P-34801464 | 90 | As is | in stock | 
| P-580303414 | 95 | As is | by resynthesis (? - ? days) | 
| P-905341094 | 95 | As is | 100 g | 
| P-862011850 | 95 | As is | 163.59 g | 
| P-870646887 | N/A | As is | in stock | 
| P-502787363 | 90 | As is | in stock | 
| P-588709136 | 95 | As is | unavailable | 
| P-855997537 | 95 | As is | unavailable | 
| P-579622077 | 98 | As is | 250 g | 
| P-856043528 | 90 | As is | unavailable | 
| P-31131772 | 90 | As is | unavailable | 
| P-467884424 | 95 | As is | by synthesis | 
| P-14426472 | 90 | As is | 209 mg | 
| P-580462314 | 97 | As is | by synthesis | 
| P-852534451 | N/A | As is | in stock | 
| P-428072908 | 90 | As is | 10.045 kg | 
| P-1263696854 | 95 | As is | by synthesis | 
| P-854755908 | 95 | As is | in stock | 
| P-608276775 | 98 | As is | in stock | 
| P-12886575 | 90 | As is | 1.767 g | 
| P-617700590 | 95 | As is | 1.767 g | 
| P-500382657 | 98 | As is | by synthesis | 
| P-19042267 | 90 | As is | in stock | 
| P-896073793 | N/A | As is | 9 mg | 
| P-869107979 | 95 | As is | by synthesis | 
| P-892286609 | 95 | As is | 1.001 g | 
| P-888627014 | 95 | As is | 1.001 g | 
| P-502328949 | 90 | As is | in stock | 
| P-22443892 | 90 | As is | 8 mg | 
| P-907287389 | 94 | As is | by resynthesis (? - ? days) | 
| P-906777618 | 97 | As is | by synthesis | 
| P-611484220 | 90 | As is | in stock | 
| P-2125348 | 90 | As is | 479 mg | 
| P-575297500 | 95 | As is | in stock | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 201.605 | 
| logP | 2.2102 | 
| H-bond acceptors | 4 | 
| H-bond donors | 2 | 
| Rotatable bonds | 2 | 
| PSA | 72.55 | 
| RO5 violations | 0 | 
| RO3 violations | 2 | 
| Refractivity | 49.3077 | 
| Atoms | 21 | 
| Rings | 1 | 
| Heavy atoms | 13 | 
| Hydrogen atoms | 8 | 
| Heteroatoms | 5 | 
| N/O atoms | 4 | 
| Inorganic atoms | 0 | 
| Halogen atoms | 1 | 
| 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 | 

