MCULE-3286513976
- 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 | 5 USD | 97 | 14 working days | Get Quote |
| 5 mg | 5 USD | 97 | 14 working days | Get Quote |
| 10 mg | 5 USD | 97 | 14 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-3286513976.sdf |
| SMILES | MCULE-3286513976.smiles |
| Standard InChI | MCULE-3286513976.inchi |
| InChIKey | MCULE-3286513976.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867565408 | 97 | As is | in stock |
| P-875725095 | N/A | As is | in stock |
| P-535625995 | 97 | As is | in stock |
| P-505353197 | 99 | As is | in stock |
| P-903054245 | 97 | As is | 8.5 kg |
| P-905476950 | 95 | As is | 1000 g |
| P-606858392 | N/A | As is | in stock |
| P-596928961 | 97 | As is | 100 kg |
| P-494347938 | 95 | As is | unavailable |
| P-864184857 | 95 | As is | in stock |
| P-580722587 | 97 | As is | 1.875 kg |
| P-900268758 | N/A | As is | by resynthesis (? - ? days) |
| P-893233723 | 95 | As is | in stock |
| P-868578333 | 95 | As is | in stock |
| P-580401956 | 95 | As is | by resynthesis (? - ? days) |
| P-889110026 | 98 | As is | 3.2488 kg |
| P-861919965 | 98 | As is | 94.4866 kg |
| P-905328108 | 98 | As is | 300 g |
| P-502528393 | 95 | As is | by synthesis |
| P-492234724 | 95 | As is | in stock |
| P-454392559 | 95 | As is | 1000 g |
| P-579615839 | 95 | As is | 1000 g |
| P-31159812 | 90 | As is | unavailable |
| P-613284209 | 95 | As is | by synthesis |
| P-580493468 | 97 | As is | by synthesis |
| P-852377994 | N/A | As is | in stock |
| P-620223950 | 95 | As is | 1000 mg |
| P-26433490 | 90 | As is | 100 mg |
| P-885558510 | 95 | As is | by synthesis |
| P-596785407 | 95 | As is | 3.26 kg |
| P-906770488 | 98 | As is | by synthesis |
| P-855010936 | 90 | As is | in stock |
| P-615391722 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 95.124 |
| logP | 0.6858 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 68.54 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 18.5924 |
| Atoms | 10 |
| Rings | 0 |
| Heavy atoms | 5 |
| Hydrogen atoms | 5 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |

