Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5323826929-0
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 | 36 USD | 90 | 26 working days | Get Quote |
| 5 mg | 36 USD | 90 | 26 working days | Get Quote |
| 10 mg | 41 USD | 90 | 26 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-5323826929-0.sdf |
| SMILES | MCULE-5323826929-0.smiles |
| Standard InChI | MCULE-5323826929-0.inchi |
| InChIKey | MCULE-5323826929-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886632459 | 95 | As is | in stock |
| P-901277394 | N/A | As is | in stock |
| P-613854826 | 95 | As is | in stock |
| P-903179310 | 95 | As is | 1000 mg |
| P-610968277 | 90 | As is | 1.5 g |
| P-851507886 | N/A | As is | by synthesis |
| P-888820668 | 95 | As is | 1000 mg |
| P-596473041 | 90 | As is | 1000 mg |
| P-596518996 | 90 | As is | 1000 mg |
| P-869406725 | 95 | As is | by synthesis |
| P-590851629 | 95 | As is | by synthesis |
| P-901516457 | 95 | As is | by synthesis |
| P-34875917 | 90 | As is | in stock |
| P-851303025 | 95 | As is | by synthesis |
| P-861400999 | 95 | As is | by synthesis |
| P-579659026 | 95 | As is | by resynthesis (? - ? days) |
| P-588251759 | N/A | As is | by synthesis |
| P-852402424 | N/A | As is | in stock |
| P-854828753 | 95 | As is | by synthesis |
| P-424824900 | 90 | As is | in stock |
| P-502334792 | 90 | As is | in stock |
| P-22519078 | 90 | As is | 1000 mg |
| P-611600991 | 90 | As is | in stock |
| P-2623062 | 90 | As is | 139 mg |
| P-894009574 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 212.243 |
| logP | 3.1747 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 26.3 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 63.7575 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 12 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
