Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5355442014
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 | 12 USD | 98 | 22 working days | Get Quote |
| 5 mg | 21 USD | 98 | 22 working days | Get Quote |
| 10 mg | 29 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.
| Name | File |
|---|---|
| SDF | MCULE-5355442014.sdf |
| SMILES | MCULE-5355442014.smiles |
| Standard InChI | MCULE-5355442014.inchi |
| InChIKey | MCULE-5355442014.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867560990 | 98 | As is | in stock |
| P-875720787 | 98 | As is | in stock |
| P-595221478 | 95 | As is | by resynthesis (? - ? days) |
| P-903049480 | 96 | As is | 500 mg |
| P-1264050595 | 95 | As is | in stock |
| P-1270346646 | 98 | As is | in stock |
| P-851926994 | N/A | As is | in stock |
| P-489242391 | 97 | As is | in stock |
| P-619142894 | 98 | As is | 100 mg |
| P-605394438 | 95 | As is | by resynthesis (? - ? days) |
| P-1273451776 | 95 | As is | by resynthesis (? - ? days) |
| P-864150074 | 95 | As is | in stock |
| P-901460266 | 95 | As is | by synthesis |
| P-851283748 | 95 | As is | by synthesis |
| P-860799300 | 98 | As is | in stock |
| P-861349490 | 95 | As is | by synthesis |
| P-579480241 | 95 | As is | in stock |
| P-580321989 | 95 | As is | by resynthesis (? - ? days) |
| P-862046999 | 96 | As is | 500 mg |
| P-868079559 | 95 | As is | in stock |
| P-855915514 | 95 | As is | 5 mg |
| P-854721144 | 95 | As is | in stock |
| P-474024416 | 95 | As is | in stock |
| P-608274742 | 98 | As is | in stock |
| P-500411216 | 96 | As is | by synthesis |
| P-491319155 | 95 | As is | by synthesis |
| P-617403969 | 98 | As is | in stock |
| P-906800677 | 98 | As is | by synthesis |
| P-611379079 | 90 | As is | in stock |
| P-666984573 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 347.795 |
| logP | 5.1647 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 61.8 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 99.7237 |
| Atoms | 39 |
| Rings | 4 |
| Heavy atoms | 25 |
| Hydrogen atoms | 14 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
