Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7747972091-0
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 | 25 USD | 98 | 20 working days | Get Quote |
| 5 mg | 30 USD | 98 | 16 working days | Get Quote |
| 10 mg | 47 USD | 98 | 16 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-7747972091-0.sdf |
| SMILES | MCULE-7747972091-0.smiles |
| Standard InChI | MCULE-7747972091-0.inchi |
| InChIKey | MCULE-7747972091-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867648770 | 98 | As is | in stock |
| P-875816907 | N/A | As is | in stock |
| P-892786041 | 98 | As is | in stock |
| P-903180162 | 98 | As is | 600 mg |
| P-610983894 | 90 | As is | 24.012 g |
| P-606894532 | N/A | As is | in stock |
| P-489208977 | 97 | As is | in stock |
| P-596970575 | 98 | As is | 600 mg |
| P-580194087 | 98 | As is | in stock |
| P-864149967 | 95 | As is | in stock |
| P-868544830 | 99 | As is | in stock |
| P-580722294 | 98 | As is | 95 mg |
| P-851283699 | 95 | As is | by synthesis |
| P-860798358 | 98 | As is | in stock |
| P-861366505 | 95 | As is | by synthesis |
| P-579478367 | 95 | As is | in stock |
| P-675216204 | 95 | As is | in stock |
| P-675216205 | 95 | As is | in stock |
| P-596582782 | 97 | As is | 250 mg |
| P-860789760 | N/A | As is | by synthesis |
| P-904640957 | 95 | As is | by synthesis |
| P-854714439 | 95 | As is | in stock |
| P-474024645 | 95 | As is | in stock |
| P-608277512 | 98 | As is | in stock |
| P-579713119 | N/A | As is | in stock |
| P-869122186 | 95 | As is | by synthesis |
| P-892289959 | 95 | As is | unavailable |
| P-888636667 | 95 | As is | 98 mg |
| P-886951080 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 422.776 |
| logP | 6.702 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 17.82 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 100.846 |
| Atoms | 41 |
| Rings | 4 |
| Heavy atoms | 29 |
| Hydrogen atoms | 12 |
| Heteroatoms | 8 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 6 |
| 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 |
