Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3071281906
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 12 USD | 98 | 22 working days | Get Quote |
| 5 mg | 16 USD | 95 | 18 working days | Get Quote |
| 10 mg | 23 USD | 98 | 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-9664043812
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3071281906.sdf |
| SMILES | MCULE-3071281906.smiles |
| Standard InChI | MCULE-3071281906.inchi |
| InChIKey | MCULE-3071281906.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867553600 | 98 | As is | in stock |
| P-875712137 | 98 | As is | in stock |
| P-1275146831 | 95 | As is | in stock |
| P-1275162484 | 98 | As is | in stock |
| P-580192851 | 98 | As is | in stock |
| P-1264050304 | 99 | As is | in stock |
| P-610974846 | 90 | As is | 38.234 g |
| P-1270291523 | 98 | As is | in stock |
| P-606854845 | N/A | As is | in stock |
| P-596942473 | 98 | As is | 500 mg |
| P-1273452372 | 95 | As is | by resynthesis (? - ? days) |
| P-864131435 | 95 | As is | in stock |
| P-860056788 | 98 | As is | by synthesis |
| P-590622679 | 98 | As is | 1.4 g |
| P-871222067 | N/A | As is | by resynthesis (? - ? days) |
| P-901459301 | 95 | As is | by synthesis |
| P-851242527 | 95 | As is | by synthesis |
| P-860800248 | 98 | As is | in stock |
| P-861487319 | 95 | As is | by synthesis |
| P-579479969 | 95 | As is | in stock |
| P-901409678 | 98 | As is | 1.35 g |
| P-868078825 | 95 | As is | in stock |
| P-502469543 | 95 | As is | by synthesis |
| P-563429088 | 95 | As is | 250 mg |
| P-852520824 | N/A | As is | by synthesis |
| P-1272597042 | N/A | As is | in stock |
| P-854720001 | 95 | As is | in stock |
| P-474027972 | 95 | As is | in stock |
| P-608273674 | 98 | As is | in stock |
| P-26512312 | 90 | As is | 141 mg |
| P-491438376 | 95 | As is | by synthesis |
| P-617403350 | 98 | As is | in stock |
| P-892290706 | 95 | As is | unavailable |
| P-869125486 | 95 | As is | 51 mg |
| P-888639061 | 95 | As is | 51 mg |
| P-1271685016 | 98 | As is | in stock |
| P-895197393 | 95 | As a main component | by synthesis |
| P-1274347309 | 95 | As a main component | unavailable |
| P-1274357808 | 95 | As a main component | unavailable |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 297.308 |
| logP | 3.1692 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 76.5 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 84.0887 |
| Atoms | 37 |
| Rings | 3 |
| Heavy atoms | 22 |
| Hydrogen atoms | 15 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
