Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9563399338
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 | 7 USD | 95 | 14 working days | Get Quote |
| 5 mg | 7 USD | 95 | 14 working days | Get Quote |
| 10 mg | 7 USD | 95 | 14 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-9563399338.sdf |
| SMILES | MCULE-9563399338.smiles |
| Standard InChI | MCULE-9563399338.inchi |
| InChIKey | MCULE-9563399338.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867595378 | 95 | As is | in stock |
| P-875754154 | 95 | As is | in stock |
| P-869363860 | 95 | As is | by resynthesis (? - ? days) |
| P-903087628 | 95 | As is | 400 g |
| P-901163247 | 98 | As is | in stock |
| P-1270402941 | 95 | As is | in stock |
| P-617052561 | 95 | As is | by resynthesis (? - ? days) |
| P-606833058 | N/A | As is | in stock |
| P-596957872 | 98 | As is | 400 g |
| P-895923819 | 95 | As is | by resynthesis (? - ? days) |
| P-864136675 | 95 | As is | in stock |
| P-851276270 | 95 | As is | by synthesis |
| P-861281832 | 97 | As is | in stock |
| P-868628579 | 95 | As is | in stock |
| P-1275222924 | 98 | As is | 30 g |
| P-18794737 | 90 | As is | 409 mg |
| P-1279671200 | N/A | As is | in stock |
| P-1279077849 | N/A | As is | by synthesis |
| P-854745741 | 95 | As is | in stock |
| P-596737628 | 95 | As is | 101.4 g |
| P-33255903 | 90 | As is | in stock |
| P-615656550 | 95 | As is | unavailable |
| P-1271664443 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 147.177 |
| logP | 1.73348 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 62.7 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 43.2884 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 9 |
| 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 |
