MCULE-1991115861
- 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 | 7 USD | 98 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 USD | 98 | 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-1991115861.sdf |
| SMILES | MCULE-1991115861.smiles |
| Standard InChI | MCULE-1991115861.inchi |
| InChIKey | MCULE-1991115861.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867643698 | 95 | As is | in stock |
| P-875810457 | N/A | As is | in stock |
| P-892793023 | 95 | As is | in stock |
| P-903170980 | 98 | As is | 75 g |
| P-893585920 | 90 | As is | 136.364 g |
| P-851942702 | N/A | As is | in stock |
| P-865923054 | 98 | As is | 50 g |
| P-895921593 | 95 | As is | by resynthesis (? - ? days) |
| P-864206991 | 95 | As is | in stock |
| P-619603705 | 95 | As is | 250 mg |
| P-492247754 | 95 | As is | in stock |
| P-427972860 | 90 | As is | 5 mg |
| P-454692579 | 90 | As is | in stock |
| P-436446640 | 95 | As is | 4 g |
| P-20013161 | 90 | As is | in stock |
| P-868637151 | 95 | As is | in stock |
| P-34570038 | 90 | As is | by synthesis |
| P-862038001 | 95 | As is | 81.568 g |
| P-588711046 | 95 | As is | unavailable |
| P-588253747 | N/A | As is | by synthesis |
| P-852392875 | N/A | As is | in stock |
| P-863714025 | 95 | As is | in stock |
| P-885522684 | 95 | As is | by synthesis |
| P-34123263 | 90 | As is | in stock |
| P-12886645 | 90 | As is | 318 mg |
| P-502385057 | 90 | As is | in stock |
| P-22529263 | 90 | As is | 30 mg |
| P-906869177 | 98 | As is | by synthesis |
| P-611436067 | 90 | As is | in stock |
| P-3246518 | 90 | As is | 7.918 g |
| P-893768 | 90 | As is | 7.918 g |
| P-3217755 | 90 | As is | 7.918 g |
| P-667023800 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 180.200 |
| logP | 1.8469 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 46.53 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 49.2858 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 12 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |

