MCULE-9807011180
- 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 | 22 USD | 97 | 8 working days | Get Quote |
| 5 mg | 22 USD | 97 | 8 working days | Get Quote |
| 10 mg | 22 USD | 97 | 8 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-9807011180.sdf |
| SMILES | MCULE-9807011180.smiles |
| Standard InChI | MCULE-9807011180.inchi |
| InChIKey | MCULE-9807011180.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867551799 | 97 | As is | in stock |
| P-875710084 | 97 | As is | in stock |
| P-590375417 | 97 | As is | by resynthesis (? - ? days) |
| P-903036295 | 97 | As is | 5 g |
| P-893527685 | 90 | As is | 54.07 g |
| P-1270390519 | 97 | As is | in stock |
| P-606865033 | N/A | As is | in stock |
| P-489214016 | 97 | As is | in stock |
| P-596941822 | 98 | As is | 5 g |
| P-895946223 | 95 | As is | by resynthesis (? - ? days) |
| P-864141414 | 95 | As is | in stock |
| P-605423850 | 97 | As is | 1.35 g |
| P-861371676 | 97 | As is | by synthesis |
| P-580298052 | 95 | As is | by resynthesis (? - ? days) |
| P-1273120929 | 98 | As is | 1.25 g |
| P-889282132 | 98 | As is | 6.325 g |
| P-563592053 | 95 | As is | 250 mg |
| P-579659571 | 97 | As is | by resynthesis (? - ? days) |
| P-854742690 | 95 | As is | in stock |
| P-888891089 | N/A | As is | in stock |
| P-491184862 | 95 | As is | by synthesis |
| P-906879644 | 99 | As is | by synthesis |
| P-611527364 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 158.196 |
| logP | 2.8538 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 20.23 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 50.937 |
| Atoms | 22 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 10 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| 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 |

