Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8412472847-0
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 | 6 USD | 98 | 20 working days | Get Quote |
| 5 mg | 6 USD | 98 | 20 working days | Get Quote |
| 10 mg | 6 USD | 98 | 20 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-8412472847-0.sdf |
| SMILES | MCULE-8412472847-0.smiles |
| Standard InChI | MCULE-8412472847-0.inchi |
| InChIKey | MCULE-8412472847-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-505389066 | 98 | As is | in stock |
| P-905479542 | 98 | As is | 10 g |
| P-596942911 | 98 | As is | 1.1 kg |
| P-580195686 | 98 | As is | in stock |
| P-596649753 | 95 | As is | by resynthesis (? - ? days) |
| P-864085029 | 97 | As is | in stock |
| P-851245664 | 95 | As is | by synthesis |
| P-868578554 | 97 | As is | in stock |
| P-905334275 | 95 | As is | 61 g |
| P-861972120 | 95 | As is | 2.33485 kg |
| P-870660166 | N/A | As is | in stock |
| P-505511635 | 95 | As is | in stock |
| P-524444363 | 97 | As is | 5.061 g |
| P-852521714 | N/A | As is | in stock |
| P-617401827 | N/A | As is | in stock |
| P-596714773 | 90 | As is | 50 mg |
| P-906764750 | 98 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 241.249 |
| logP | 2.0953 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 89.71 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 67.0671 |
| Atoms | 29 |
| Rings | 3 |
| Heavy atoms | 18 |
| Hydrogen atoms | 11 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
