Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8058655292-0
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 | 20 USD | 97 | 22 working days | Get Quote |
| 5 mg | 34 USD | 97 | 22 working days | Get Quote |
| 10 mg | 47 USD | 97 | 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.
| Name | File |
|---|---|
| SDF | MCULE-8058655292-0.sdf |
| SMILES | MCULE-8058655292-0.smiles |
| Standard InChI | MCULE-8058655292-0.inchi |
| InChIKey | MCULE-8058655292-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867679776 | 97 | As is | in stock |
| P-875857768 | 97 | As is | in stock |
| P-903311696 | 98 | As is | 600 mg |
| P-610989550 | 90 | As is | 18.065 g |
| P-1270323884 | 97 | As is | in stock |
| P-606943230 | N/A | As is | in stock |
| P-865932112 | 98 | As is | 200 mg |
| P-1273257184 | 95 | As is | by resynthesis (? - ? days) |
| P-889567922 | 95 | As is | in stock |
| P-890232456 | 97 | As is | by synthesis |
| P-851314860 | 95 | As is | by synthesis |
| P-860800097 | 98 | As is | in stock |
| P-861365691 | 95 | As is | by synthesis |
| P-675217639 | 95 | As is | in stock |
| P-854712965 | 95 | As is | in stock |
| P-1267009482 | 95 | As is | by synthesis |
| P-584615716 | 95 | As is | in stock |
| P-608271408 | 98 | As is | in stock |
| P-608278522 | 98 | As is | in stock |
| P-892294889 | 95 | As is | unavailable |
| P-869160882 | 95 | As is | 191 mg |
| P-888656109 | 95 | As is | 191 mg |
| P-855291609 | 90 | As is | in stock |
| P-1271666487 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 577.732 |
| logP | 6.0683 |
| H-bond acceptors | 8 |
| H-bond donors | 3 |
| Rotatable bonds | 10 |
| PSA | 99.49 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 168.6367 |
| Atoms | 86 |
| Rings | 5 |
| Heavy atoms | 42 |
| Hydrogen atoms | 44 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
