MCULE-1728975835
- 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 | 11 USD | 98 | 14 working days | Get Quote |
| 5 mg | 11 USD | 98 | 14 working days | Get Quote |
| 10 mg | 11 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.
-
MCULE-5638576144
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1728975835.sdf |
| SMILES | MCULE-1728975835.smiles |
| Standard InChI | MCULE-1728975835.inchi |
| InChIKey | MCULE-1728975835.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893166582 | N/A | As is | by synthesis |
| P-860631031 | N/A | As is | by synthesis |
| P-867452100 | N/A | As is | by synthesis |
| P-889794847 | 95 | As is | by synthesis |
| P-13751323 | 95 | As is | 300 mg |
| P-855997584 | 97 | As is | 100 mg |
| P-588709611 | 97 | As is | 100 g |
| P-852406527 | N/A | As is | in stock |
| P-895200400 | 95 | As is | by synthesis |
| P-14010356 | 92 | As is | 300 mg |
| P-519868375 | 90 | As is | in stock |
| P-502329434 | 90 | As is | in stock |
| P-25623680 | 90 | As is | 120 mg |
| P-893137566 | N/A | As a main component | by synthesis |
| P-867589460 | 95 | As a main component | in stock |
| P-875748880 | N/A | As a main component | in stock |
| P-535627022 | 95 | As a main component | in stock |
| P-505391950 | 98 | As a main component | in stock |
| P-903079923 | 98 | As a main component | 100 g |
| P-865911059 | 98 | As a main component | 100 g |
| P-889570656 | 95 | As a main component | in stock |
| P-893263547 | 95 | As a main component | by synthesis |
| P-617650947 | 90 | As a main component | in stock |
| P-584596324 | 95 | As a main component | 420 g |
| P-868577447 | 98 | As a main component | in stock |
| P-905322288 | 98 | As a main component | 3 g |
| P-488544336 | 90 | As a main component | in stock |
| P-855992866 | 98 | As a main component | 100 mg |
| P-524165435 | 98 | As a main component | 100 g |
| P-856042140 | 90 | As a main component | 5 g |
| P-856012778 | 90 | As a main component | 5 g |
| P-902988539 | 95 | As a main component | by synthesis |
| P-895183145 | 95 | As a main component | in stock |
| P-871072715 | 95 | As a main component | in stock |
| P-454364912 | 92 | As a main component | in stock |
| P-885547967 | 95 | As a main component | by synthesis |
| P-873212552 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 153.178 |
| logP | 1.0846 |
| H-bond acceptors | 3 |
| H-bond donors | 3 |
| Rotatable bonds | 2 |
| PSA | 66.48 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 42.1072 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 11 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |

