MCULE-6835726965-0
- 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 | 15 USD | 95 | 22 working days | Get Quote |
| 5 mg | 15 USD | 95 | 22 working days | Get Quote |
| 10 mg | 15 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-6835726965-0.sdf |
| SMILES | MCULE-6835726965-0.smiles |
| Standard InChI | MCULE-6835726965-0.inchi |
| InChIKey | MCULE-6835726965-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867639717 | 95 | As is | in stock |
| P-875805320 | N/A | As is | in stock |
| P-505349693 | 95 | As is | in stock |
| P-869353102 | 95 | As is | in stock |
| P-903162449 | 99 | As is | 100 g |
| P-610978618 | 90 | As is | 128 g |
| P-606881350 | N/A | As is | in stock |
| P-489152151 | 97 | As is | in stock |
| P-865922024 | 95 | As is | 100 g |
| P-494330066 | 95 | As is | by resynthesis (? - ? days) |
| P-864090134 | 98 | As is | in stock |
| P-666960793 | 95 | As is | 6.5 g |
| P-492266618 | 95 | As is | in stock |
| P-868650930 | 95 | As is | in stock |
| P-580440393 | 95 | As is | by resynthesis (? - ? days) |
| P-889111035 | 98 | As is | 1000 mg |
| P-861930362 | 98 | As is | 64.811 g |
| P-505523835 | 95 | As is | in stock |
| P-502506269 | 95 | As is | by synthesis |
| P-454354452 | 95 | As is | 12.379 g |
| P-454418051 | 95 | As is | 12.379 g |
| P-608109087 | 95 | As is | unavailable |
| P-852470233 | N/A | As is | in stock |
| P-901008394 | 95 | As is | in stock |
| P-889862234 | 95 | As is | by synthesis |
| P-18915199 | 90 | As is | in stock |
| P-873284796 | N/A | As is | in stock |
| P-873217859 | 90 | As is | in stock |
| P-611486582 | 90 | As is | in stock |
| P-872758856 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 228.242 |
| logP | 3.0604 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 46.53 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 65.3293 |
| Atoms | 29 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 12 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |

