Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6491285212
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 | 30 USD | 98 | 22 working days | Get Quote |
| 5 mg | 30 USD | 98 | 22 working days | Get Quote |
| 10 mg | 41 USD | 98 | 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-6491285212.sdf |
| SMILES | MCULE-6491285212.smiles |
| Standard InChI | MCULE-6491285212.inchi |
| InChIKey | MCULE-6491285212.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867681299 | 98 | As is | in stock |
| P-875858111 | 98 | As is | in stock |
| P-869204665 | 95 | As is | by resynthesis (? - ? days) |
| P-893618342 | 90 | As is | 613 mg |
| P-900250496 | N/A | As is | 100 mg |
| P-1273263379 | 95 | As is | by resynthesis (? - ? days) |
| P-871216326 | 95 | As is | by synthesis |
| P-900266049 | 95 | As is | in stock |
| P-873248675 | 97 | As is | 5 mg |
| P-854720977 | 95 | As is | in stock |
| P-1263155392 | 95 | As is | by synthesis |
| P-871068266 | 95 | As is | in stock |
| P-888174214 | 98 | As is | by synthesis |
| P-855052855 | 90 | As is | in stock |
| P-886894008 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 466.573 |
| logP | 4.06228 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 8 |
| PSA | 75.52 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 144.7985 |
| Atoms | 65 |
| Rings | 5 |
| Heavy atoms | 35 |
| Hydrogen atoms | 30 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
