MCULE-2013135265
- 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 | 7 USD | 98 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 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-3234957185
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2013135265.sdf |
| SMILES | MCULE-2013135265.smiles |
| Standard InChI | MCULE-2013135265.inchi |
| InChIKey | MCULE-2013135265.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867560423 | 98 | As is | in stock |
| P-875720483 | 98 | As is | in stock |
| P-903049302 | 98 | As is | 50 g |
| P-1264046720 | 95 | As is | in stock |
| P-580241210 | 95 | As is | by synthesis |
| P-606869597 | N/A | As is | in stock |
| P-596945088 | 98 | As is | 100 g |
| P-580192698 | 98 | As is | in stock |
| P-869559078 | 90 | As is | unavailable |
| P-864088730 | 97 | As is | in stock |
| P-868543855 | 99 | As is | in stock |
| P-900267914 | N/A | As is | by resynthesis (? - ? days) |
| P-893219008 | 95 | As is | in stock |
| P-893225656 | 95 | As is | in stock |
| P-505578091 | 98 | As is | in stock |
| P-881634195 | 98 | As is | in stock |
| P-851239608 | 95 | As is | by synthesis |
| P-860799570 | 98 | As is | in stock |
| P-868649105 | 97 | As is | in stock |
| P-579478524 | 95 | As is | in stock |
| P-1264339228 | 95 | As is | 37.06 g |
| P-889113430 | 95 | As is | 37.06 g |
| P-861983655 | 95 | As is | 37.06 g |
| P-505535345 | 95 | As is | in stock |
| P-860784862 | N/A | As is | in stock |
| P-579618179 | 95 | As is | 10 g |
| P-852444059 | N/A | As is | in stock |
| P-896627588 | 95 | As is | by synthesis |
| P-854719423 | 95 | As is | in stock |
| P-872671461 | 95 | As is | in stock |
| P-608274736 | 98 | As is | in stock |
| P-500410192 | 99 | As is | by synthesis |
| P-1263957916 | 90 | As is | in stock |
| P-889879179 | 95 | As is | by synthesis |
| P-579709800 | N/A | As is | in stock |
| P-590489747 | 90 | As is | 230 mg |
| P-869118091 | 95 | As is | by synthesis |
| P-892288731 | 95 | As is | 3.45 g |
| P-888633204 | 95 | As is | 3.45 g |
| P-888401777 | 94 | As is | by resynthesis (? - ? days) |
| P-611429767 | 90 | As is | in stock |
| P-869315779 | 95 | As a main component | in stock |
| P-1264050844 | 95 | As a main component | in stock |
| P-893606530 | 90 | As a main component | 130.954 g |
| P-606952968 | N/A | As a main component | in stock |
| P-872722678 | 98 | As a main component | in stock |
| P-864281642 | 95 | As a main component | by synthesis |
| P-590631031 | 98 | As a main component | 460 mg |
| P-893248879 | 95 | As a main component | by synthesis |
| P-861379122 | 95 | As a main component | by synthesis |
| P-608495957 | 95 | As a main component | in stock |
| P-855927388 | 97 | As a main component | 1000 mg |
| P-904640513 | 95 | As a main component | by synthesis |
| P-854718558 | 95 | As a main component | in stock |
| P-608277302 | 98 | As a main component | in stock |
| P-617402709 | N/A | As a main component | in stock |
| P-869127146 | 95 | As a main component | by synthesis |
| P-892291354 | 95 | As a main component | unavailable |
| P-888640326 | 95 | As a main component | 100 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 488.006 |
| logP | 3.4624 |
| H-bond acceptors | 9 |
| H-bond donors | 3 |
| Rotatable bonds | 8 |
| PSA | 134.75 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 138.6327 |
| Atoms | 59 |
| Rings | 4 |
| Heavy atoms | 33 |
| Hydrogen atoms | 26 |
| Heteroatoms | 11 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |

