Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5404194440-0
Structure
Show compound
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 | 13 USD | 96 | 9 working days | Get Quote |
| 5 mg | 13 USD | 96 | 9 working days | Get Quote |
| 10 mg | 13 USD | 96 | 9 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-5404194440-0.sdf |
| SMILES | MCULE-5404194440-0.smiles |
| Standard InChI | MCULE-5404194440-0.inchi |
| InChIKey | MCULE-5404194440-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867569795 | 97 | As is | in stock |
| P-875729850 | 97 | As is | in stock |
| P-597027698 | 95 | As is | unavailable |
| P-1275180802 | 99 | As is | in stock |
| P-1275143061 | 95 | As is | in stock |
| P-1275180230 | 98 | As is | in stock |
| P-872728086 | 98 | As is | in stock |
| P-489110452 | 97 | As is | in stock |
| P-1273291548 | 95 | As is | by resynthesis (? - ? days) |
| P-494335836 | 95 | As is | by resynthesis (? - ? days) |
| P-904969787 | 96 | As is | by synthesis |
| P-893237832 | 95 | As is | in stock |
| P-505573061 | 97 | As is | in stock |
| P-580452760 | 98 | As is | in stock |
| P-868604073 | 96 | As is | in stock |
| P-870646365 | 96 | As is | in stock |
| P-505493664 | 95 | As is | in stock |
| P-524164514 | 99 | As is | 1000 mg |
| P-856005852 | 99 | As is | 100 mg |
| P-579624137 | 95 | As is | in stock |
| P-854711728 | 95 | As is | in stock |
| P-899992869 | 95 | As is | in stock |
| P-474027159 | 95 | As is | in stock |
| P-878643812 | 98 | As is | in stock |
| P-885542169 | 95 | As is | by synthesis |
| P-869121176 | 95 | As is | 2.391 g |
| P-892289713 | 95 | As is | 5.083 g |
| P-888635857 | 95 | As is | 5.083 g |
| P-23118710 | 90 | As is | in stock |
| P-888227247 | 90 | As is | 7 mg |
| P-611408730 | 90 | As is | in stock |
| P-611466100 | 90 | As is | in stock |
| P-1271263393 | 97 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 307.817 |
| logP | 3.3415 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 50.94 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 85.3698 |
| Atoms | 43 |
| Rings | 2 |
| Heavy atoms | 21 |
| Hydrogen atoms | 22 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
