MCULE-5259323348-0
- 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 | 36 USD | 95 | 15 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 73 USD | 90 | 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-5259323348-0.sdf |
| SMILES | MCULE-5259323348-0.smiles |
| Standard InChI | MCULE-5259323348-0.inchi |
| InChIKey | MCULE-5259323348-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-885957241 | 95 | As is | by synthesis |
| P-904563312 | 95 | As is | in stock |
| P-893470588 | 90 | As is | 5.225 g |
| P-851749587 | N/A | As is | by synthesis |
| P-591084836 | 95 | As is | by synthesis |
| P-901552187 | 95 | As is | by synthesis |
| P-7297894 | 90 | As is | 5 mg |
| P-502503292 | 95 | As is | by synthesis |
| P-503460351 | 90 | As is | by synthesis |
| P-502694850 | 90 | As is | in stock |
| P-13614165 | 95 | As is | 300 mg |
| P-14232956 | 90 | As is | 206 mg |
| P-467966940 | 95 | As is | 206 mg |
| P-895333472 | 95 | As is | by synthesis |
| P-519800274 | 90 | As is | in stock |
| P-33844421 | 90 | As is | in stock |
| P-907233944 | 94 | As is | by resynthesis (? - ? days) |
| P-855254104 | 90 | As is | in stock |
| P-2465046 | 90 | As is | 123 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 243.710 |
| logP | 3.2164 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 54.55 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 61.5547 |
| Atoms | 25 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 10 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |

