Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6168408668-1
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 | 25 USD | N/A | 20 working days | Get Quote |
| 5 mg | 25 USD | N/A | 20 working days | Get Quote |
| 10 mg | 30 USD | 95 | 7 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-7782088447-0
- Component type: Main
-
MCULE-7620585476-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-6168408668-1.sdf |
| SMILES | MCULE-6168408668-1.smiles |
| Standard InChI | MCULE-6168408668-1.inchi |
| InChIKey | MCULE-6168408668-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892961215 | 95 | As a main component | by synthesis |
| P-1268874962 | 95 | As a main component | by synthesis |
| P-869345059 | 95 | As a main component | by resynthesis (? - ? days) |
| P-1274435368 | 90 | As a main component | unavailable |
| P-893618508 | 90 | As a main component | 5.7 g |
| P-851399472 | N/A | As a main component | by synthesis |
| P-1271954893 | 95 | As a main component | unavailable |
| P-1274619344 | N/A | As a main component | 200 mg |
| P-1273291017 | 95 | As a main component | by resynthesis (? - ? days) |
| P-1274811743 | 95 | As a main component | by resynthesis (? - ? days) |
| P-616192676 | 98 | As a main component | by synthesis |
| P-1274908736 | 95 | As a main component | by synthesis |
| P-854835091 | 95 | As a main component | by synthesis |
| P-888171981 | 98 | As a main component | by synthesis |
| P-892253291 | 95 | As a main component | 1000 mg |
| P-892295810 | 95 | As a main component | 1000 mg |
| P-892338196 | 95 | As a main component | 1000 mg |
| P-886900253 | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 228.284 |
| logP | 0.3872 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 11 |
| PSA | 80.26 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 59.457 |
| Atoms | 36 |
| Rings | 0 |
| Heavy atoms | 16 |
| Hydrogen atoms | 20 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
