MCULE-7869492567
- 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 | 7 USD | 98 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 USD | 98 | 14 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-7869492567.sdf |
| SMILES | MCULE-7869492567.smiles |
| Standard InChI | MCULE-7869492567.inchi |
| InChIKey | MCULE-7869492567.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875710890 | 98 | As is | in stock |
| P-590399394 | 97 | As is | by resynthesis (? - ? days) |
| P-903037611 | 98 | As is | 15 g |
| P-893595254 | 90 | As is | 36.346 g |
| P-1270325669 | 97 | As is | in stock |
| P-606926193 | N/A | As is | in stock |
| P-489172596 | 97 | As is | in stock |
| P-596942182 | 98 | As is | 4 g |
| P-552049074 | 95 | As is | by resynthesis (? - ? days) |
| P-864122388 | 97 | As is | in stock |
| P-580696928 | 97 | As is | 1.25 g |
| P-1274610021 | 95 | As is | by synthesis |
| P-901650409 | 97 | As is | in stock |
| P-580310937 | 95 | As is | by resynthesis (? - ? days) |
| P-1273119056 | 98 | As is | 1.25 g |
| P-862047068 | 98 | As is | 20.595 g |
| P-505521267 | 95 | As is | in stock |
| P-524185580 | 97 | As is | 1000 mg |
| P-895222882 | 95 | As is | in stock |
| P-888840062 | N/A | As is | by synthesis |
| P-873223727 | 90 | As is | in stock |
| P-906782149 | 98 | As is | by synthesis |
| P-855222689 | 90 | As is | in stock |
| P-615402888 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 252.307 |
| logP | 3.6079 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 26.3 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 75.2745 |
| Atoms | 35 |
| Rings | 3 |
| Heavy atoms | 19 |
| Hydrogen atoms | 16 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

