MCULE-6879928536-0
- 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 | 7 USD | 95 | 14 working days | Get Quote |
| 5 mg | 7 USD | 95 | 14 working days | Get Quote |
| 10 mg | 7 USD | 95 | 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-6879928536-0.sdf |
| SMILES | MCULE-6879928536-0.smiles |
| Standard InChI | MCULE-6879928536-0.inchi |
| InChIKey | MCULE-6879928536-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875746862 | N/A | As is | in stock |
| P-590410658 | 98 | As is | in stock |
| P-881670971 | 95 | As is | in stock |
| P-903078316 | 95 | As is | 125 g |
| P-893512085 | 90 | As is | 451.65 g |
| P-606915980 | N/A | As is | in stock |
| P-596989100 | 98 | As is | 75 g |
| P-895930332 | 95 | As is | by resynthesis (? - ? days) |
| P-605397670 | 95 | As is | by resynthesis (? - ? days) |
| P-864089336 | 97 | As is | in stock |
| P-616205152 | 98 | As is | 37 g |
| P-868623157 | 98 | As is | in stock |
| P-579721209 | N/A | As is | by resynthesis (? - ? days) |
| P-862035565 | 97 | As is | 115.65 g |
| P-870648496 | N/A | As is | in stock |
| P-856007538 | 95 | As is | 100 mg |
| P-855963679 | 97 | As is | 25 g |
| P-596572338 | 97 | As is | 25 g |
| P-524187518 | 95 | As is | 100 g |
| P-856045742 | 90 | As is | 2 g |
| P-31160945 | 90 | As is | 2 g |
| P-852510432 | N/A | As is | in stock |
| P-863708936 | 95 | As is | in stock |
| P-885534350 | 95 | As is | by synthesis |
| P-502330146 | 90 | As is | in stock |
| P-22494479 | 90 | As is | 1000 mg |
| P-906756481 | 98 | As is | by synthesis |
| P-906772902 | 97 | As is | by synthesis |
| P-611477973 | 90 | As is | in stock |
| P-615406680 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 361.432 |
| logP | 3.4929 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 8 |
| PSA | 58.56 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 104.7415 |
| Atoms | 50 |
| Rings | 3 |
| Heavy atoms | 27 |
| Hydrogen atoms | 23 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |

