Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7812898303-0
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 | 28 USD | 95 | 7 working days | Get Quote |
| 5 mg | 38 USD | N/A | 22 working days | Get Quote |
| 10 mg | 56 USD | N/A | 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-7812898303-0.sdf |
| SMILES | MCULE-7812898303-0.smiles |
| Standard InChI | MCULE-7812898303-0.inchi |
| InChIKey | MCULE-7812898303-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867643935 | N/A | As is | in stock |
| P-595215857 | 98 | As is | by resynthesis (? - ? days) |
| P-610994904 | 90 | As is | 117.291 g |
| P-1270357817 | 99 | As is | in stock |
| P-889752617 | N/A | As is | in stock |
| P-596985555 | 99 | As is | 100 mg |
| P-1273262126 | 95 | As is | by resynthesis (? - ? days) |
| P-889773736 | 98 | As is | in stock |
| P-868544616 | 98 | As is | in stock |
| P-4261547 | 90 | As is | 1.398 g |
| P-425312646 | 90 | As is | in stock |
| P-1274609999 | 95 | As is | by synthesis |
| P-860798831 | 98 | As is | in stock |
| P-1273109085 | 97 | As is | 100 mg |
| P-19059205 | 90 | As is | in stock |
| P-617404305 | 98 | As is | in stock |
| P-892295078 | 95 | As is | unavailable |
| P-869161072 | 95 | As is | 48 mg |
| P-888656307 | 95 | As is | 48 mg |
| P-903783418 | 94 | As is | by resynthesis (? - ? days) |
| P-611431057 | 90 | As is | in stock |
| P-764675 | 90 | As is | 5 mg |
| P-1271701038 | 99 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 375.445 |
| logP | 4.795 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 80.5 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 111.323 |
| Atoms | 44 |
| Rings | 4 |
| Heavy atoms | 27 |
| Hydrogen atoms | 17 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
