Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-6582964098
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 | 13 USD | 99 | 22 working days | Get Quote |
| 5 mg | 25 USD | 99 | 20 working days | Get Quote |
| 10 mg | 36 USD | 99 | 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-2546898996
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6582964098.sdf |
| SMILES | MCULE-6582964098.smiles |
| Standard InChI | MCULE-6582964098.inchi |
| InChIKey | MCULE-6582964098.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-905469440 | 95 | As is | in stock |
| P-869158431 | 95 | As is | unavailable |
| P-888654239 | 95 | As is | unavailable |
| P-867550406 | 99 | Main component | in stock |
| P-875707915 | 99 | Main component | in stock |
| P-869288825 | 95 | Main component | by resynthesis (? - ? days) |
| P-881652997 | 98 | Main component | in stock |
| P-1270373793 | 99 | Main component | in stock |
| P-606857252 | N/A | Main component | in stock |
| P-596941254 | 99 | Main component | 1000 mg |
| P-889550477 | 95 | Main component | in stock |
| P-868078720 | 95 | Main component | in stock |
| P-892297966 | 95 | Main component | unavailable |
| P-869162516 | 95 | Main component | 51 mg |
| P-888657879 | 95 | Main component | 51 mg |
| P-872751322 | 98 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 453.402 |
| logP | 4.2008 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 8 |
| PSA | 77.49 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 127.3157 |
| Atoms | 60 |
| Rings | 4 |
| Heavy atoms | 30 |
| Hydrogen atoms | 30 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
