MCULE-8346557968-0
- 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 | 63 USD | 95 | 22 working days | Get Quote |
| 5 mg | 63 USD | 95 | 22 working days | Get Quote |
| 10 mg | 63 USD | 95 | 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-8346557968-0.sdf |
| SMILES | MCULE-8346557968-0.smiles |
| Standard InChI | MCULE-8346557968-0.inchi |
| InChIKey | MCULE-8346557968-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886767650 | 95 | As is | in stock |
| P-890190846 | 95 | As is | in stock |
| P-1274459924 | 95 | As is | by resynthesis (? - ? days) |
| P-903391952 | N/A | As is | 100 mg |
| P-893606746 | 90 | As is | 492 mg |
| P-904026590 | N/A | As is | in stock |
| P-895112957 | N/A | As is | 100 mg |
| P-1273259014 | 95 | As is | by resynthesis (? - ? days) |
| P-889802553 | 95 | As is | by synthesis |
| P-1263076040 | 100 | As is | in stock |
| P-902965535 | 95 | As is | by synthesis |
| P-1263254559 | 95 | As is | by synthesis |
| P-888622058 | 95 | As is | 1 mg |
| P-895181397 | 95 | As is | in stock |
| P-888174124 | 98 | As is | by synthesis |
| P-642068881 | 90 | As is | by synthesis |
| P-892291903 | 95 | As is | unavailable |
| P-869130434 | 95 | As is | 101 mg |
| P-888642181 | 95 | As is | 101 mg |
| P-1271611805 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 256.795 |
| logP | 4.0547 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 56.15 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 75.5444 |
| Atoms | 33 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 17 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |

