Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8097991587-1
Structure
Show compound
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 | 39 USD | N/A | 22 working days | Get Quote |
| 5 mg | 76 USD | N/A | 22 working days | Get Quote |
| 10 mg | 121 USD | N/A | 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.
-
1
MCULE-1468555518-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8097991587-1.sdf |
| SMILES | MCULE-8097991587-1.smiles |
| Standard InChI | MCULE-8097991587-1.inchi |
| InChIKey | MCULE-8097991587-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-869287632 | 95 | As is | by resynthesis (? - ? days) |
| P-893364043 | 90 | As is | by synthesis |
| P-851567362 | N/A | As is | by synthesis |
| P-590948621 | 98 | As is | by synthesis |
| P-851297317 | 95 | As is | by synthesis |
| P-860800064 | 98 | As is | in stock |
| P-887228661 | 95 | As is | by synthesis |
| P-868079210 | 95 | As is | in stock |
| P-1275597087 | 95 | As is | in stock |
| P-584622555 | 95 | As is | in stock |
| P-1271558839 | 98 | As is | in stock |
| P-867538473 | N/A | Main component | in stock |
| P-875694278 | N/A | Main component | in stock |
| P-869358411 | 95 | Main component | by resynthesis (? - ? days) |
| P-903015641 | 99 | Main component | 200 mg |
| P-1264050489 | 99 | Main component | in stock |
| P-1270397924 | 98 | Main component | in stock |
| P-888934257 | N/A | Main component | in stock |
| P-895093175 | 98 | Main component | 200 mg |
| P-1273259434 | 95 | Main component | by resynthesis (? - ? days) |
| P-889773499 | 98 | Main component | in stock |
| P-892412615 | 98 | Main component | 238 mg |
| P-901444395 | 95 | Main component | by synthesis |
| P-851251040 | 95 | Main component | by synthesis |
| P-860799941 | 98 | Main component | in stock |
| P-579481303 | 95 | Main component | in stock |
| P-854622221 | 98 | Main component | in stock |
| P-868078470 | 95 | Main component | in stock |
| P-873247738 | 97 | Main component | 1 mg |
| P-852523797 | 95 | Main component | by synthesis |
| P-854716963 | 95 | Main component | in stock |
| P-1263155527 | 95 | Main component | by synthesis |
| P-584622554 | 95 | Main component | in stock |
| P-888169368 | 98 | Main component | by synthesis |
| P-579712795 | 98 | Main component | in stock |
| P-892289109 | 95 | Main component | unavailable |
| P-855323950 | 90 | Main component | in stock |
| P-1271671251 | 98 | Main component | in stock |
| P-904058799 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 476.999 |
| logP | 5.57 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 76.98 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 145.9714 |
| Atoms | 63 |
| Rings | 6 |
| Heavy atoms | 34 |
| Hydrogen atoms | 29 |
| 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 |
