MCULE-7003833621
- 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 | 23 USD | N/A | 22 working days | Get Quote |
| 5 mg | 23 USD | N/A | 22 working days | Get Quote |
| 10 mg | 23 USD | N/A | 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-7003833621.sdf |
| SMILES | MCULE-7003833621.smiles |
| Standard InChI | MCULE-7003833621.inchi |
| InChIKey | MCULE-7003833621.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867671550 | N/A | As is | in stock |
| P-852085407 | 95 | As is | by synthesis |
| P-889915068 | N/A | As is | by synthesis |
| P-874635674 | 97 | As is | in stock |
| P-903111788 | 95 | As is | 1000 mg |
| P-870136487 | N/A | As is | in stock |
| P-489172521 | 97 | As is | in stock |
| P-889788995 | 95 | As is | in stock |
| P-901414932 | 95 | As is | in stock |
| P-861457435 | 95 | As is | by synthesis |
| P-493674730 | N/A | As is | in stock |
| P-493674793 | N/A | As is | in stock |
| P-493674870 | N/A | As is | in stock |
| P-493674871 | N/A | As is | in stock |
| P-852561073 | N/A | As is | in stock |
| P-864050888 | 95 | As is | by synthesis |
| P-889864470 | 95 | As is | by synthesis |
| P-906782295 | N/A | As is | by synthesis |
| P-611610458 | 90 | As is | in stock |
| P-893977460 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 228.285 |
| logP | 3.0663 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 29.46 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 68.5148 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 16 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |

