MCULE-8617300646
- 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 | 47 USD | 90 | 24 working days | Get Quote |
| 5 mg | 65 USD | 95 | 9 working days | Get Quote |
| 10 mg | 65 USD | 95 | 9 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-8617300646.sdf |
| SMILES | MCULE-8617300646.smiles |
| Standard InChI | MCULE-8617300646.inchi |
| InChIKey | MCULE-8617300646.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892870237 | 95 | As is | in stock |
| P-901283123 | 95 | As is | in stock |
| P-869259773 | 95 | As is | by resynthesis (? - ? days) |
| P-851599280 | N/A | As is | by synthesis |
| P-901350444 | 95 | As is | by synthesis |
| P-590925631 | 95 | As is | by synthesis |
| P-454615887 | 90 | As is | in stock |
| P-3797078 | 90 | As is | 4.495 g |
| P-436452420 | 95 | As is | in stock |
| P-425264481 | 90 | As is | in stock |
| P-517167892 | 90 | As is | in stock |
| P-868632910 | 95 | As is | in stock |
| P-855971632 | 95 | As is | 250 mg |
| P-852406488 | N/A | As is | by synthesis |
| P-854831302 | 95 | As is | by synthesis |
| P-579266966 | 90 | As is | in stock |
| P-873219659 | 90 | As is | in stock |
| P-888577532 | 94 | As is | by resynthesis (? - ? days) |
| P-855360359 | 90 | As is | in stock |
| P-424719194 | 90 | As is | 5 mg |
| P-1271520738 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 263.318 |
| logP | 3.1952 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 93.46 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 69.0241 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 13 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 |

