MCULE-8109876384-1
- 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 | 17 USD | 98 | 22 working days | Get Quote |
| 5 mg | 25 USD | 98 | 22 working days | Get Quote |
| 10 mg | 90 USD | 95 | 7 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-9469600133-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8109876384-1.sdf |
| SMILES | MCULE-8109876384-1.smiles |
| Standard InChI | MCULE-8109876384-1.inchi |
| InChIKey | MCULE-8109876384-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867570163 | 98 | As is | in stock |
| P-875730714 | 98 | As is | in stock |
| P-903060022 | 98 | As is | 5 g |
| P-489196210 | 97 | As is | in stock |
| P-860799886 | 98 | As is | in stock |
| P-901409787 | 98 | As is | 5 g |
| P-1275894299 | 95 | As is | by synthesis |
| P-854721553 | 95 | As is | in stock |
| P-872837567 | 98 | As a main component | in stock |
| P-875857752 | 98 | As a main component | in stock |
| P-904326200 | 90 | As a main component | 11.22 g |
| P-888827102 | 98 | As a main component | 50 mg |
| P-1273292965 | 95 | As a main component | by resynthesis (? - ? days) |
| P-889779583 | 95 | As a main component | in stock |
| P-873247593 | 95 | As a main component | 5 mg |
| P-854715379 | 95 | As a main component | in stock |
| P-904245732 | 95 | As a main component | unavailable |
| P-869119041 | 95 | As a main component | 200 mg |
| P-888634015 | 95 | As a main component | 200 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 399.423 |
| logP | 4.314 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 83.79 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 112.5164 |
| Atoms | 48 |
| Rings | 5 |
| Heavy atoms | 30 |
| Hydrogen atoms | 18 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |

