Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5644693157
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 | 9 USD | 97 | 14 working days | Get Quote |
| 5 mg | 9 USD | 97 | 14 working days | Get Quote |
| 10 mg | 9 USD | 97 | 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-5644693157.sdf |
| SMILES | MCULE-5644693157.smiles |
| Standard InChI | MCULE-5644693157.inchi |
| InChIKey | MCULE-5644693157.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867661243 | 97 | As is | in stock |
| P-875829916 | 97 | As is | in stock |
| P-1275192842 | 95 | As is | in stock |
| P-903205431 | 97 | As is | 300 g |
| P-893546621 | 90 | As is | 164.43 g |
| P-1270295475 | 97 | As is | in stock |
| P-580201199 | 95 | As is | 4 g |
| P-606851909 | N/A | As is | in stock |
| P-489208446 | 97 | As is | in stock |
| P-596972549 | 98 | As is | 20 g |
| P-866730042 | 95 | As is | 8 g |
| P-864139243 | 95 | As is | in stock |
| P-580696338 | 97 | As is | 11 g |
| P-619928142 | 90 | As is | by synthesis |
| P-436461621 | 95 | As is | in stock |
| P-34858731 | 90 | As is | in stock |
| P-851249982 | 95 | As is | by synthesis |
| P-868565956 | 96 | As is | in stock |
| P-580301162 | 95 | As is | by resynthesis (? - ? days) |
| P-862010631 | 98 | As is | 36.15 g |
| P-1273117531 | 98 | As is | 5 g |
| P-524188559 | 95 | As is | 439 mg |
| P-596546959 | 95 | As is | 439 mg |
| P-579627287 | 95 | As is | in stock |
| P-856042397 | 90 | As is | unavailable |
| P-31267243 | 90 | As is | unavailable |
| P-1279610787 | N/A | As is | in stock |
| P-852432693 | N/A | As is | by synthesis |
| P-854751810 | 95 | As is | in stock |
| P-901176896 | 90 | As is | 50 mg |
| P-889862644 | 95 | As is | by synthesis |
| P-19066855 | 90 | As is | in stock |
| P-873284608 | N/A | As is | in stock |
| P-596781023 | 97 | As is | 84 g |
| P-502367357 | 90 | As is | in stock |
| P-888447727 | 94 | As is | by resynthesis (? - ? days) |
| P-611436455 | 90 | As is | in stock |
| P-3241480 | 90 | As is | 26 mg |
| P-789919 | 90 | As is | 26 mg |
| P-615657574 | 95 | As is | unavailable |
| P-1271692353 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 148.162 |
| logP | 1.1646 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 48.65 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 43.8854 |
| Atoms | 19 |
| Rings | 2 |
| Heavy atoms | 11 |
| Hydrogen atoms | 8 |
| 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 |
