MCULE-8956815674
- 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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-8956815674.sdf |
| SMILES | MCULE-8956815674.smiles |
| Standard InChI | MCULE-8956815674.inchi |
| InChIKey | MCULE-8956815674.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867614721 | N/A | As is | in stock |
| P-889916601 | N/A | As is | by synthesis |
| P-894648532 | 95 | As is | in stock |
| P-903117323 | 95 | As is | 1000 mg |
| P-851818996 | N/A | As is | by synthesis |
| P-889809082 | 95 | As is | by synthesis |
| P-591125736 | 95 | As is | by synthesis |
| P-901428800 | 95 | As is | by synthesis |
| P-454763537 | 90 | As is | in stock |
| P-619826493 | 90 | As is | 75 mg |
| P-34603615 | 90 | As is | by synthesis |
| P-580783126 | 90 | As is | by resynthesis (? - ? days) |
| P-580771119 | 90 | As is | in stock |
| P-492235726 | 95 | As is | in stock |
| P-488553989 | 90 | As is | in stock |
| P-24465551 | 95 | As is | 300 mg |
| P-596595860 | 90 | As is | 5 g |
| P-580479082 | N/A | As is | by synthesis |
| P-854839710 | 95 | As is | by synthesis |
| P-454374531 | 92 | As is | in stock |
| P-23793361 | 92 | As is | 300 mg |
| P-491135534 | 95 | As is | by synthesis |
| P-23884151 | 90 | As is | in stock |
| P-33469758 | 90 | As is | in stock |
| P-502347545 | 90 | As is | in stock |
| P-464686501 | 90 | As is | 1.943 g |
| P-1239358 | 90 | As is | 1.943 g |
| P-893868046 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 168.193 |
| logP | 1.3197 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 54.98 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 44.4472 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 12 |
| 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 |

