MCULE-3496980211
- 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 | 25 USD | 98 | 22 working days | Get Quote |
| 5 mg | 25 USD | 98 | 22 working days | Get Quote |
| 10 mg | 25 USD | 98 | 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-3496980211.sdf |
| SMILES | MCULE-3496980211.smiles |
| Standard InChI | MCULE-3496980211.inchi |
| InChIKey | MCULE-3496980211.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867630595 | 98 | As is | in stock |
| P-875794421 | N/A | As is | in stock |
| P-869239764 | 95 | As is | in stock |
| P-903146281 | 98 | As is | 1000 mg |
| P-1264054225 | 95 | As is | in stock |
| P-893514832 | 90 | As is | 15.264 g |
| P-596985331 | 98 | As is | 10 g |
| P-864201007 | 95 | As is | in stock |
| P-616205952 | 98 | As is | 2.35 g |
| P-619288637 | 90 | As is | 60 mg |
| P-617330393 | 95 | As is | in stock |
| P-19871294 | 90 | As is | in stock |
| P-887066972 | 95 | As is | in stock |
| P-889437542 | 98 | As is | 10 g |
| P-502742499 | 90 | As is | in stock |
| P-596602994 | 95 | As is | 100 mg |
| P-856044328 | 90 | As is | 10 g |
| P-31218156 | 90 | As is | 10 g |
| P-852552066 | N/A | As is | in stock |
| P-896628255 | 95 | As is | by synthesis |
| P-854718426 | 95 | As is | in stock |
| P-584616653 | 95 | As is | in stock |
| P-888172691 | 98 | As is | by synthesis |
| P-12361317 | 90 | As is | 2 mg |
| P-888892757 | N/A | As is | in stock |
| P-491074571 | 95 | As is | by synthesis |
| P-18865331 | 90 | As is | in stock |
| P-869163468 | 95 | As is | by synthesis |
| P-892299666 | 95 | As is | unavailable |
| P-888658827 | 95 | As is | 150 mg |
| P-502366618 | 90 | As is | in stock |
| P-33162260 | 90 | As is | 207 mg |
| P-906818046 | 98 | As is | by synthesis |
| P-611450220 | 90 | As is | in stock |
| P-381233 | 90 | As is | 67 mg |
| P-868507501 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 271.338 |
| logP | 3.5006 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 7 |
| PSA | 109.67 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 69.3608 |
| Atoms | 35 |
| Rings | 1 |
| Heavy atoms | 18 |
| Hydrogen atoms | 17 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| 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 |

