Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5400975416
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 15 USD | 99 | 15 working days | Get Quote |
| 5 mg | 36 USD | 99 | 15 working days | Get Quote |
| 10 mg | 52 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.
-
MCULE-8928029783
- Component type: Main
-
MCULE-3779898414
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5400975416.sdf |
| SMILES | MCULE-5400975416.smiles |
| Standard InChI | MCULE-5400975416.inchi |
| InChIKey | MCULE-5400975416.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867640108 | 99 | As is | in stock |
| P-875806522 | 99 | As is | in stock |
| P-1275163414 | 98 | As is | in stock |
| P-872724391 | 98 | As is | in stock |
| P-1264046814 | 99 | As is | in stock |
| P-893608096 | 90 | As is | 2.827 g |
| P-606875102 | N/A | As is | in stock |
| P-489238247 | 97 | As is | in stock |
| P-596968774 | 99 | As is | 1000 mg |
| P-1273256833 | 95 | As is | by resynthesis (? - ? days) |
| P-864150011 | 95 | As is | in stock |
| P-893297969 | 98 | As is | by synthesis |
| P-580726905 | 99 | As is | 2.029 g |
| P-871219036 | N/A | As is | by resynthesis (? - ? days) |
| P-851250545 | 95 | As is | by synthesis |
| P-861357588 | 95 | As is | by synthesis |
| P-579479340 | 95 | As is | in stock |
| P-675216996 | 95 | As is | in stock |
| P-596561864 | 97 | As is | 1 mg |
| P-1272598004 | 95 | As is | 50 mg |
| P-852523549 | 95 | As is | by synthesis |
| P-854711836 | 95 | As is | in stock |
| P-896628140 | 95 | As is | by synthesis |
| P-871070150 | 95 | As is | in stock |
| P-608276235 | 98 | As is | in stock |
| P-579711361 | 98 | As is | in stock |
| P-892296846 | 95 | As is | unavailable |
| P-869161928 | 95 | As is | 6 mg |
| P-888657318 | 95 | As is | 6 mg |
| P-480243952 | 98 | As is | in stock |
| P-867612316 | N/A | As a main component | in stock |
| P-875773063 | N/A | As a main component | in stock |
| P-595215856 | 98 | As a main component | by resynthesis (? - ? days) |
| P-893442778 | 90 | As a main component | 17.707 g |
| P-851626642 | N/A | As a main component | by synthesis |
| P-619201550 | N/A | As a main component | 10 mg |
| P-1273452889 | 95 | As a main component | by resynthesis (? - ? days) |
| P-1275490458 | 95 | As a main component | in stock |
| P-893297837 | 98 | As a main component | by synthesis |
| P-590959350 | 99 | As a main component | by synthesis |
| P-1275104658 | N/A | As a main component | by resynthesis (? - ? days) |
| P-901450091 | 95 | As a main component | by synthesis |
| P-851283690 | 95 | As a main component | by synthesis |
| P-860799510 | 98 | As a main component | in stock |
| P-860798619 | 98 | As a main component | in stock |
| P-579480511 | 95 | As a main component | in stock |
| P-889438242 | 99 | As a main component | 200 mg |
| P-505547137 | 95 | As a main component | in stock |
| P-855916724 | 97 | As a main component | 5 mg |
| P-854715518 | 95 | As a main component | in stock |
| P-1263153000 | 95 | As a main component | by synthesis |
| P-474024069 | 95 | As a main component | in stock |
| P-888171546 | 98 | As a main component | by synthesis |
| P-500410986 | 98 | As a main component | by synthesis |
| P-892291649 | 95 | As a main component | unavailable |
| P-869128335 | 95 | As a main component | 155 mg |
| P-888641088 | 95 | As a main component | 155 mg |
| P-666984237 | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 391.419 |
| logP | 3.2321 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 74.73 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 109.2847 |
| Atoms | 50 |
| Rings | 4 |
| Heavy atoms | 29 |
| Hydrogen atoms | 21 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| 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 |
