Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4158833339
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 | 53 USD | 90 | 10 working days | Get Quote |
| 5 mg | 55 USD | N/A | 9 working days | Get Quote |
| 10 mg | 55 USD | N/A | 9 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.
-
MCULE-3882860469
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4158833339.sdf |
| SMILES | MCULE-4158833339.smiles |
| Standard InChI | MCULE-4158833339.inchi |
| InChIKey | MCULE-4158833339.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867633524 | 97 | As is | in stock |
| P-875798241 | 97 | As is | in stock |
| P-869197672 | 95 | As is | by resynthesis (? - ? days) |
| P-903152598 | 97 | As is | 2 g |
| P-893447006 | 90 | As is | in stock |
| P-866101677 | 95 | As is | unavailable |
| P-1270395041 | 97 | As is | in stock |
| P-851954918 | N/A | As is | in stock |
| P-865920518 | 97 | As is | 5 g |
| P-889581859 | 95 | As is | in stock |
| P-893250732 | 95 | As is | by synthesis |
| P-887190462 | 95 | As is | by synthesis |
| P-580311388 | 95 | As is | by resynthesis (? - ? days) |
| P-861980914 | 97 | As is | 2 g |
| P-18697207 | 90 | As is | 847 mg |
| P-852453168 | N/A | As is | by synthesis |
| P-1272583832 | N/A | As is | in stock |
| P-428067284 | 90 | As is | in stock |
| P-854933096 | 95 | As is | by synthesis |
| P-888892392 | N/A | As is | in stock |
| P-889885152 | 95 | As is | by synthesis |
| P-502363193 | 90 | As is | in stock |
| P-906821713 | 97 | As is | by synthesis |
| P-855364825 | 90 | As is | in stock |
| P-1271703404 | 97 | As is | in stock |
| P-611461121 | 90 | As a main component | in stock |
| P-611362668 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 320.176 |
| logP | 4.0138 |
| H-bond acceptors | 7 |
| H-bond donors | 3 |
| Rotatable bonds | 2 |
| PSA | 163.1 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 62.8552 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 17 |
| Hydrogen atoms | 7 |
| Heteroatoms | 11 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
