Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4025292019
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 | 20 working days | Get Quote |
| 5 mg | 12 USD | 98 | 20 working days | Get Quote |
| 10 mg | 12 USD | 98 | 20 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-4025292019.sdf |
| SMILES | MCULE-4025292019.smiles |
| Standard InChI | MCULE-4025292019.inchi |
| InChIKey | MCULE-4025292019.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867542241 | 98 | As is | in stock |
| P-875698740 | 98 | As is | in stock |
| P-1275169777 | 98 | As is | in stock |
| P-869370649 | 95 | As is | by resynthesis (? - ? days) |
| P-903021853 | 98 | As is | 100 g |
| P-1270279271 | 98 | As is | in stock |
| P-851948350 | N/A | As is | in stock |
| P-489238037 | 97 | As is | in stock |
| P-596981686 | 98 | As is | 225 g |
| P-1274813902 | 95 | As is | by resynthesis (? - ? days) |
| P-864208323 | 95 | As is | in stock |
| P-901507666 | 95 | As is | by synthesis |
| P-454698643 | 90 | As is | in stock |
| P-9907037 | 90 | As is | 80 mg |
| P-436448810 | 95 | As is | in stock |
| P-851268027 | 95 | As is | by synthesis |
| P-580443367 | 95 | As is | by resynthesis (? - ? days) |
| P-861933848 | 95 | As is | 232 g |
| P-502540731 | 95 | As is | by synthesis |
| P-492214608 | 95 | As is | in stock |
| P-502708204 | 90 | As is | in stock |
| P-588709469 | 95 | As is | unavailable |
| P-856013396 | 90 | As is | unavailable |
| P-617179943 | 90 | As is | 31 mg |
| P-580463704 | N/A | As is | by synthesis |
| P-852425251 | N/A | As is | by synthesis |
| P-1272504324 | 95 | As is | in stock |
| P-13066590 | 90 | As is | 50 mg |
| P-500395100 | 98 | As is | by synthesis |
| P-19111297 | 90 | As is | in stock |
| P-502350682 | 90 | As is | in stock |
| P-907241942 | 94 | As is | by resynthesis (? - ? days) |
| P-907285726 | 94 | As is | by resynthesis (? - ? days) |
| P-906793292 | 98 | As is | by synthesis |
| P-611434741 | 90 | As is | in stock |
| P-580449813 | 97 | As is | in stock |
| P-1432618 | 90 | As is | 193 mg |
| P-480992140 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 181.261 |
| logP | 2.3193 |
| H-bond acceptors | 3 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 82.17 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 54.0138 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 11 |
| Heteroatoms | 4 |
| 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 |
