MCULE-2423974296
- 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 | 63 USD | 95 | 14 working days | Get Quote |
| 5 mg | 63 USD | 95 | 14 working days | Get Quote |
| 10 mg | 63 USD | 95 | 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-2423974296.sdf |
| SMILES | MCULE-2423974296.smiles |
| Standard InChI | MCULE-2423974296.inchi |
| InChIKey | MCULE-2423974296.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886644394 | 95 | As is | in stock |
| P-890165242 | N/A | As is | in stock |
| P-869307026 | 95 | As is | in stock |
| P-904336746 | 90 | As is | 11.809 g |
| P-851547339 | N/A | As is | by synthesis |
| P-905463675 | 95 | As is | in stock |
| P-611065874 | 95 | As is | by synthesis |
| P-3423469 | 90 | As is | 50 mg |
| P-887330497 | 95 | As is | by synthesis |
| P-905356904 | 95 | As is | 100 mg |
| P-889315820 | 95 | As is | 4.82 g |
| P-502510913 | 95 | As is | by synthesis |
| P-895224102 | 95 | As is | in stock |
| P-888882296 | N/A | As is | in stock |
| P-906816105 | 95 | As is | by synthesis |
| P-855237622 | 90 | As is | in stock |
| P-893835784 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 303.335 |
| logP | 3.282 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 83.06 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 81.2033 |
| Atoms | 34 |
| Rings | 3 |
| Heavy atoms | 21 |
| 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 |

