MCULE-8805391978
- 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 | 95 | 10 working days | Get Quote |
| 5 mg | 5 USD | 95 | 10 working days | Get Quote |
| 10 mg | 5 USD | 95 | 10 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-8805391978.sdf |
| SMILES | MCULE-8805391978.smiles |
| Standard InChI | MCULE-8805391978.inchi |
| InChIKey | MCULE-8805391978.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867563687 | 98 | As is | in stock |
| P-875723062 | N/A | As is | in stock |
| P-535626866 | 95 | As is | in stock |
| P-505352119 | 99 | As is | in stock |
| P-903052373 | 98 | As is | 667.5 g |
| P-905476990 | 98 | As is | 1000 g |
| P-580200045 | 95 | As is | 20 g |
| P-606833943 | N/A | As is | in stock |
| P-489105526 | 97 | As is | in stock |
| P-596928329 | 98 | As is | 5 kg |
| P-494344605 | 95 | As is | 11.02 g |
| P-864098224 | 95 | As is | in stock |
| P-580707812 | 98 | As is | 170 g |
| P-901453077 | 95 | As is | by synthesis |
| P-448677915 | 90 | As is | 1.851 g |
| P-425206227 | 90 | As is | in stock |
| P-868559974 | 98 | As is | in stock |
| P-580420380 | 95 | As is | by resynthesis (? - ? days) |
| P-861975593 | 98 | As is | 2.728 kg |
| P-905340234 | 98 | As is | 2.728 kg |
| P-870656611 | N/A | As is | in stock |
| P-890206218 | 90 | As is | 5.9 g |
| P-579489091 | 90 | As is | 5.9 g |
| P-502945789 | 90 | As is | in stock |
| P-454351609 | 97 | As is | 113 mg |
| P-454416920 | 97 | As is | 250 g |
| P-579613010 | 98 | As is | 2.5 kg |
| P-856043009 | 90 | As is | unavailable |
| P-31207582 | 90 | As is | unavailable |
| P-467927174 | 95 | As is | by synthesis |
| P-131219829 | 90 | As is | 120 mg |
| P-580510520 | 95 | As is | 2.9 kg |
| P-852510954 | N/A | As is | in stock |
| P-878649545 | 98 | As is | in stock |
| P-26427187 | 90 | As is | 4.994 g |
| P-492278909 | 95 | As is | 4.994 g |
| P-500375503 | 98 | As is | by synthesis |
| P-885528068 | 95 | As is | by synthesis |
| P-424840330 | 90 | As is | in stock |
| P-596744048 | 98 | As is | 3.28 kg |
| P-892282888 | 95 | As is | by synthesis |
| P-869180168 | 95 | As is | in stock |
| P-892301758 | 95 | As is | unavailable |
| P-892356214 | 95 | As is | 4.976 g |
| P-502366517 | 90 | As is | in stock |
| P-33714952 | 94 | As is | by resynthesis (? - ? days) |
| P-906775227 | 98 | As is | by synthesis |
| P-464680716 | 90 | As is | 3 g |
| P-35092713 | 90 | As is | 3 g |
| P-615391745 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 201.017 |
| logP | 2.1473 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 41.1013 |
| Atoms | 15 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 5 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |

