MCULE-6413122148
- 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 | 36 USD | 95 | 26 working days | Get Quote |
| 5 mg | 36 USD | 95 | 26 working days | Get Quote |
| 10 mg | 41 USD | 95 | 26 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-6413122148.sdf |
| SMILES | MCULE-6413122148.smiles |
| Standard InChI | MCULE-6413122148.inchi |
| InChIKey | MCULE-6413122148.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867553249 | 95 | As is | in stock |
| P-875711670 | N/A | As is | in stock |
| P-612938467 | 95 | As is | in stock |
| P-903038493 | 98 | As is | 1.25 g |
| P-606890947 | N/A | As is | in stock |
| P-873289957 | 98 | As is | 500 mg |
| P-596412725 | 90 | As is | 1000 mg |
| P-596492771 | 90 | As is | 1000 mg |
| P-864155322 | 95 | As is | in stock |
| P-871194121 | 98 | As is | 320 mg |
| P-893258215 | 95 | As is | by synthesis |
| P-577133341 | 90 | As is | in stock |
| P-15151487 | 90 | As is | 980 mg |
| P-436440809 | 90 | As is | 53.85 g |
| P-330151 | 90 | As is | 677 mg |
| P-436455457 | 95 | As is | 100 g |
| P-19948415 | 90 | As is | in stock |
| P-861529637 | 95 | As is | by synthesis |
| P-34739577 | 90 | As is | in stock |
| P-563528043 | 95 | As is | 1000 mg |
| P-31160117 | 90 | As is | 250 mg |
| P-14080425 | 90 | As is | 309 mg |
| P-852383255 | N/A | As is | in stock |
| P-35255579 | 90 | As is | 1.759 kg |
| P-889870543 | 95 | As is | by synthesis |
| P-23967980 | 90 | As is | in stock |
| P-502335917 | 90 | As is | in stock |
| P-22532958 | 90 | As is | 29 mg |
| P-906815946 | 98 | As is | by synthesis |
| P-611603274 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 216.235 |
| logP | 1.7912 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 54.12 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 64.5539 |
| Atoms | 28 |
| Rings | 3 |
| Heavy atoms | 16 |
| Hydrogen atoms | 12 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |

