Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6044533117
Compound
Show structures
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 | 11 USD | 98 | 11 working days | Get Quote |
| 5 mg | 11 USD | 98 | 11 working days | Get Quote |
| 10 mg | 11 USD | 98 | 11 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-1498747483
- Component type: Main
-
MCULE-4937469311
- Component type: Main
-
MCULE-1096187368
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-6044533117.sdf |
| SMILES | MCULE-6044533117.smiles |
| Standard InChI | MCULE-6044533117.inchi |
| InChIKey | MCULE-6044533117.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-489229247 | 97 | As is | in stock |
| P-675187362 | 70 | As is | 90 mg |
| P-605423529 | 90 | As is | 4.625 kg |
| P-617430726 | 98 | As is | 4.39 kg |
| P-578049798 | 98 | As is | in stock |
| P-868595030 | 85 | As is | in stock |
| P-1272602880 | 90 | As is | 3 kg |
| P-1272595862 | 95 | As is | 25 g |
| P-852505354 | 95 | As is | by synthesis |
| P-852604288 | 90 | As is | by synthesis |
| P-895498464 | 95 | As is | by synthesis |
| P-902990739 | 95 | As is | by synthesis |
| P-854691017 | 95 | As is | in stock |
| P-584623248 | 95 | As is | in stock |
| P-870132516 | 97 | As is | in stock |
| P-1264576079 | N/A | As a main component | 75 g |
| P-489230099 | 97 | As a main component | in stock |
| P-489220053 | 97 | As a main component | in stock |
| P-590600842 | 97 | As a main component | 2.611 g |
| P-890239515 | 98 | As a main component | 1.55 kg |
| P-674396722 | 97 | As a main component | by synthesis |
| P-868563126 | 98 | As a main component | in stock |
| P-868599101 | 95 | As a main component | in stock |
| P-852603661 | N/A | As a main component | by synthesis |
| P-895524019 | 95 | As a main component | by synthesis |
| P-1273476095 | 95 | As a main component | in stock |
| P-854690958 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 282.461 |
| logP | 6.1085 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 15 |
| PSA | 37.3 |
| RO5 violations | 1 |
| RO3 violations | 2 |
| Refractivity | 89.9378 |
| Atoms | 54 |
| Rings | 0 |
| Heavy atoms | 20 |
| Hydrogen atoms | 34 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
