Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5828891848
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 | 47 USD | 90 | 24 working days | Get Quote |
| 5 mg | 69 USD | 90 | 24 working days | Get Quote |
| 10 mg | 86 USD | 90 | 24 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-9120565121
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5828891848.sdf |
| SMILES | MCULE-5828891848.smiles |
| Standard InChI | MCULE-5828891848.inchi |
| InChIKey | MCULE-5828891848.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852180032 | 95 | As is | by synthesis |
| P-1268886888 | 95 | As is | by synthesis |
| P-617708318 | 95 | As is | 93 mg |
| P-424389932 | 90 | As is | 93 mg |
| P-491119752 | 95 | As is | by synthesis |
| P-502327284 | 90 | As is | in stock |
| P-22482995 | 90 | As is | 101 mg |
| P-852114412 | 95 | As a main component | by synthesis |
| P-889939093 | 95 | As a main component | by synthesis |
| P-903186177 | 95 | As a main component | 43 g |
| P-893531179 | 90 | As a main component | 87.9 g |
| P-1275122485 | 95 | As a main component | in stock |
| P-865924907 | 95 | As a main component | 43 g |
| P-1263770973 | 95 | As a main component | by synthesis |
| P-893361805 | 90 | As a main component | 1000 mg |
| P-617653734 | 90 | As a main component | by synthesis |
| P-617649974 | 90 | As a main component | in stock |
| P-619292629 | 90 | As a main component | 28 mg |
| P-861567409 | 95 | As a main component | by synthesis |
| P-887213890 | 95 | As a main component | by synthesis |
| P-34684060 | 90 | As a main component | by synthesis |
| P-580786081 | 90 | As a main component | by resynthesis (? - ? days) |
| P-900956679 | 95 | As a main component | in stock |
| P-588251975 | N/A | As a main component | by synthesis |
| P-675080023 | 90 | As a main component | in stock |
| P-906805276 | 98 | As a main component | by synthesis |
| P-611429093 | 90 | As a main component | in stock |
| P-617736966 | 90 | As a main component | 3.767 g |
| P-617721685 | 90 | As a main component | 3.767 g |
| P-868514026 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 280.363 |
| logP | 4.2568 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 51.04 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 86.7241 |
| Atoms | 41 |
| Rings | 3 |
| Heavy atoms | 21 |
| Hydrogen atoms | 20 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
