MCULE-1585235991
- 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 | 6 USD | 99 | 14 working days | Get Quote |
| 5 mg | 6 USD | 99 | 14 working days | Get Quote |
| 10 mg | 6 USD | 99 | 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-1585235991.sdf |
| SMILES | MCULE-1585235991.smiles |
| Standard InChI | MCULE-1585235991.inchi |
| InChIKey | MCULE-1585235991.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867661219 | 98 | As is | in stock |
| P-875829883 | N/A | As is | in stock |
| P-869194972 | 95 | As is | in stock |
| P-588246892 | 98 | As is | in stock |
| P-903205647 | 99 | As is | 9.5 kg |
| P-851929500 | N/A | As is | in stock |
| P-596990180 | 97 | As is | 25 kg |
| P-494347173 | 95 | As is | 22.1 g |
| P-864118782 | 95 | As is | in stock |
| P-481171226 | 95 | As is | 39 g |
| P-893220954 | 95 | As is | in stock |
| P-577133141 | 90 | As is | in stock |
| P-449699964 | 90 | As is | 9.165 g |
| P-436467352 | 95 | As is | 4 g |
| P-578527273 | 90 | As is | in stock |
| P-34859110 | 90 | As is | in stock |
| P-886856222 | 95 | As is | by synthesis |
| P-868592323 | 98 | As is | in stock |
| P-580401925 | 95 | As is | by resynthesis (? - ? days) |
| P-905335908 | 97 | As is | 440 g |
| P-861980344 | 97 | As is | 5.84802 kg |
| P-870656800 | N/A | As is | in stock |
| P-590344653 | 90 | As is | 30 g |
| P-505494616 | 95 | As is | in stock |
| P-492236862 | 95 | As is | in stock |
| P-488542920 | 90 | As is | in stock |
| P-12401559 | 95 | As is | 300 mg |
| P-454351576 | 95 | As is | 310 mg |
| P-454416889 | 95 | As is | 500 g |
| P-579619738 | 98 | As is | 5 kg |
| P-856043667 | 90 | As is | 10 g |
| P-31138737 | 90 | As is | 10 g |
| P-613281377 | 95 | As is | by synthesis |
| P-580477246 | N/A | As is | by synthesis |
| P-852451936 | N/A | As is | in stock |
| P-428093122 | 95 | As is | 10.5 kg |
| P-854753111 | 95 | As is | in stock |
| P-620070136 | 90 | As is | 1000 mg |
| P-620224713 | 95 | As is | 1000 mg |
| P-859997391 | 95 | As is | by synthesis |
| P-19546815 | 90 | As is | in stock |
| P-608157080 | N/A | As is | in stock |
| P-896074144 | N/A | As is | 4.939 g |
| P-613816946 | 95 | As is | in stock |
| P-498679198 | 97 | As is | 760 g |
| P-22636956 | 90 | As is | in stock |
| P-502326734 | 90 | As is | in stock |
| P-888438645 | 94 | As is | by resynthesis (? - ? days) |
| P-3218179 | 90 | As is | 2.814 g |
| P-1211915 | 90 | As is | 2.814 g |
| P-886923018 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 209.198 |
| logP | 1.4232 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 78.62 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 53.4054 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 11 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |

