MCULE-1617097986-0
- 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 | 32 USD | 97 | 20 working days | Get Quote |
| 5 mg | 32 USD | 97 | 20 working days | Get Quote |
| 10 mg | 32 USD | 97 | 20 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-1617097986-0.sdf |
| SMILES | MCULE-1617097986-0.smiles |
| Standard InChI | MCULE-1617097986-0.inchi |
| InChIKey | MCULE-1617097986-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867604085 | 97 | As is | in stock |
| P-875761828 | N/A | As is | in stock |
| P-590363171 | 95 | As is | in stock |
| P-903097877 | 97 | As is | 15 g |
| P-893530353 | 90 | As is | 85.883 g |
| P-606934996 | N/A | As is | in stock |
| P-489225429 | 97 | As is | in stock |
| P-596959977 | 97 | As is | 6 g |
| P-579786848 | 95 | As is | by resynthesis (? - ? days) |
| P-864170622 | 97 | As is | in stock |
| P-481166143 | 95 | As is | 1.5 g |
| P-580726174 | 97 | As is | 6.25 g |
| P-868627871 | 98 | As is | in stock |
| P-861979614 | 97 | As is | 18 g |
| P-502530018 | 95 | As is | by synthesis |
| P-900955814 | 95 | As is | in stock |
| P-862262508 | 95 | As is | 2.599 g |
| P-18797765 | 95 | As is | 81.168 g |
| P-454409281 | 95 | As is | 81.168 g |
| P-613319991 | 95 | As is | by synthesis |
| P-852413386 | N/A | As is | in stock |
| P-901839531 | 95 | As is | in stock |
| P-888877453 | N/A | As is | in stock |
| P-885516437 | 95 | As is | by synthesis |
| P-896085103 | N/A | As is | 1 mg |
| P-596782121 | 97 | As is | 12.5 g |
| P-502359928 | 90 | As is | in stock |
| P-855246835 | 90 | As is | in stock |
| P-615453623 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 192.261 |
| logP | 0.9997 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 45.39 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 64.9014 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 16 |
| 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 |

