Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1968751814
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 | 27 USD | 98 | 8 working days | Get Quote |
| 5 mg | 27 USD | 98 | 8 working days | Get Quote |
| 10 mg | 27 USD | 98 | 8 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-1968751814.sdf |
| SMILES | MCULE-1968751814.smiles |
| Standard InChI | MCULE-1968751814.inchi |
| InChIKey | MCULE-1968751814.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867598521 | 98 | As is | in stock |
| P-875756695 | 98 | As is | in stock |
| P-612942770 | 95 | As is | by resynthesis (? - ? days) |
| P-903091618 | 98 | As is | 10 g |
| P-893617287 | 90 | As is | 56.88 g |
| P-1270324675 | 98 | As is | in stock |
| P-606932104 | N/A | As is | in stock |
| P-489136566 | 97 | As is | in stock |
| P-619199388 | 98 | As is | 10 g |
| P-895938641 | 95 | As is | by resynthesis (? - ? days) |
| P-596496784 | 90 | As is | unavailable |
| P-596448874 | 90 | As is | unavailable |
| P-869387938 | 95 | As is | in stock |
| P-611004593 | 98 | As is | 6.1 g |
| P-492251741 | 95 | As is | in stock |
| P-619927958 | 90 | As is | by synthesis |
| P-436458909 | 95 | As is | in stock |
| P-34859890 | 90 | As is | in stock |
| P-896632447 | 95 | As is | by synthesis |
| P-893620298 | 95 | As is | in stock |
| P-868634621 | 95 | As is | in stock |
| P-905346401 | 98 | As is | 1.5 g |
| P-862030708 | 98 | As is | 14.73 g |
| P-855973317 | 98 | As is | 1000 mg |
| P-580470675 | N/A | As is | by synthesis |
| P-1272566068 | N/A | As is | 5 g |
| P-852385719 | N/A | As is | by synthesis |
| P-874450407 | 95 | As is | in stock |
| P-888893493 | N/A | As is | in stock |
| P-502373876 | 90 | As is | in stock |
| P-22537891 | 90 | As is | 150 mg |
| P-855350132 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 176.172 |
| logP | 1.5695 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 65.98 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 48.019 |
| Atoms | 21 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 8 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
