MCULE-4096793652-0
- 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 | 24 USD | 99 | 14 working days | Get Quote |
| 5 mg | 54 USD | 95 | 7 working days | Get Quote |
| 10 mg | 59 USD | 99 | 20 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.
-
MCULE-1597338665-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4096793652-0.sdf |
| SMILES | MCULE-4096793652-0.smiles |
| Standard InChI | MCULE-4096793652-0.inchi |
| InChIKey | MCULE-4096793652-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867647593 | 99 | As is | in stock |
| P-875814669 | 99 | As is | in stock |
| P-874615199 | 98 | As is | by resynthesis (? - ? days) |
| P-903176776 | 99 | As is | 500 mg |
| P-893554573 | 90 | As is | 6.31 g |
| P-606943427 | N/A | As is | in stock |
| P-865923667 | 99 | As is | 500 mg |
| P-1273452556 | 95 | As is | by resynthesis (? - ? days) |
| P-864191791 | 95 | As is | in stock |
| P-606956326 | 99 | As is | 253 mg |
| P-901551278 | 95 | As is | by synthesis |
| P-861381193 | 95 | As is | by synthesis |
| P-868658927 | 95 | As is | in stock |
| P-901407139 | 99 | As is | 500 mg |
| P-855927293 | 97 | As is | 100 mg |
| P-854721321 | 95 | As is | in stock |
| P-878643023 | 98 | As is | in stock |
| P-892287694 | 95 | As is | unavailable |
| P-869111115 | 95 | As is | 100 mg |
| P-888629148 | 95 | As is | 100 mg |
| P-868508281 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 350.414 |
| logP | 4.1189 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 68.3 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 103.0784 |
| Atoms | 48 |
| Rings | 4 |
| Heavy atoms | 26 |
| Hydrogen atoms | 22 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |

