MCULE-8993327307
- 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 | 9 USD | 98 | 12 working days | Get Quote |
| 5 mg | 9 USD | 98 | 12 working days | Get Quote |
| 10 mg | 9 USD | 98 | 12 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-1076348732
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8993327307.sdf |
| SMILES | MCULE-8993327307.smiles |
| Standard InChI | MCULE-8993327307.inchi |
| InChIKey | MCULE-8993327307.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867567837 | 98 | As is | in stock |
| P-875727826 | 98 | As is | in stock |
| P-1275181584 | 99 | As is | in stock |
| P-1275146285 | 95 | As is | in stock |
| P-1275185876 | 98 | As is | in stock |
| P-1270376284 | 98 | As is | in stock |
| P-851953137 | N/A | As is | in stock |
| P-489159768 | 97 | As is | in stock |
| P-494415075 | 95 | As is | by resynthesis (? - ? days) |
| P-864138503 | 95 | As is | in stock |
| P-666964458 | 98 | As is | 2.25 kg |
| P-901480061 | 95 | As is | by synthesis |
| P-868594379 | 98 | As is | in stock |
| P-580403221 | 95 | As is | by resynthesis (? - ? days) |
| P-905346330 | 98 | As is | 50 g |
| P-862030457 | 98 | As is | 446.6 g |
| P-505492933 | 95 | As is | in stock |
| P-524164887 | 97 | As is | 5 g |
| P-855992722 | 97 | As is | 100 mg |
| P-860790559 | N/A | As is | by synthesis |
| P-904720853 | 90 | As is | in stock |
| P-904639520 | 95 | As is | in stock |
| P-500373835 | 97 | As is | by synthesis |
| P-1263958254 | 90 | As is | in stock |
| P-885546423 | 95 | As is | by synthesis |
| P-1274332099 | 95 | As is | unavailable |
| P-1274340665 | 95 | As is | 24.98 g |
| P-1274352567 | 95 | As is | 24.98 g |
| P-502371175 | 90 | As is | in stock |
| P-906771285 | 97 | As is | by synthesis |
| P-611379488 | 90 | As is | in stock |
| P-1271697106 | 98 | As is | in stock |
| P-675104890 | 90 | As a main component | in stock |
| P-617607708 | 90 | As a main component | 307 mg |
| P-617789264 | 90 | As a main component | 100 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 226.269 |
| logP | 3.2077 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 67.9535 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 14 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |

