MCULE-2803300849-0
- 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 | 25 USD | 98 | 16 working days | Get Quote |
| 5 mg | 47 USD | 98 | 16 working days | Get Quote |
| 10 mg | 79 USD | 98 | 16 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-2803300849-0.sdf |
| SMILES | MCULE-2803300849-0.smiles |
| Standard InChI | MCULE-2803300849-0.inchi |
| InChIKey | MCULE-2803300849-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867653847 | 98 | As is | in stock |
| P-875820988 | N/A | As is | in stock |
| P-869231423 | 95 | As is | in stock |
| P-903182716 | 98 | As is | 150 mg |
| P-1264058100 | 95 | As is | in stock |
| P-892509199 | N/A | As is | in stock |
| P-892191434 | 98 | As is | 150 mg |
| P-896027967 | 95 | As is | in stock |
| P-892412012 | 98 | As is | 150 mg |
| P-887189843 | 95 | As is | by synthesis |
| P-579481192 | 95 | As is | in stock |
| P-873245295 | 97 | As is | 50 mg |
| P-854721599 | 95 | As is | in stock |
| P-474023456 | 95 | As is | in stock |
| P-619673724 | 98 | As is | in stock |
| P-594275589 | 95 | As is | by synthesis |
| P-892298512 | 95 | As is | unavailable |
| P-888658176 | 95 | As is | 50 mg |
| P-855060807 | 90 | As is | in stock |
| P-855059528 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 371.434 |
| logP | 3.9091 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 99.25 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 101.1332 |
| Atoms | 44 |
| Rings | 3 |
| Heavy atoms | 26 |
| Hydrogen atoms | 18 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| 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 |

