Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3401047883
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 | 19 USD | 98 | 20 working days | Get Quote |
| 5 mg | 19 USD | 98 | 20 working days | Get Quote |
| 10 mg | 19 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-3401047883.sdf |
| SMILES | MCULE-3401047883.smiles |
| Standard InChI | MCULE-3401047883.inchi |
| InChIKey | MCULE-3401047883.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867665377 | 95 | As is | in stock |
| P-875833660 | 95 | As is | in stock |
| P-590400394 | 95 | As is | by resynthesis (? - ? days) |
| P-903210743 | 98 | As is | 2 g |
| P-893515160 | 90 | As is | in stock |
| P-1270311638 | 95 | As is | in stock |
| P-606937295 | N/A | As is | in stock |
| P-489190855 | 97 | As is | in stock |
| P-596973650 | 98 | As is | 2 g |
| P-1273456274 | 95 | As is | by resynthesis (? - ? days) |
| P-895921210 | 95 | As is | by resynthesis (? - ? days) |
| P-864170634 | 95 | As is | in stock |
| P-580701679 | 95 | As is | 1.25 g |
| P-870584945 | 95 | As is | in stock |
| P-862022485 | 98 | As is | 3.391 g |
| P-524180742 | 95 | As is | 250 mg |
| P-579648356 | 95 | As is | by resynthesis (? - ? days) |
| P-852626689 | N/A | As is | by synthesis |
| P-1272603794 | N/A | As is | in stock |
| P-895183635 | 95 | As is | in stock |
| P-888842789 | N/A | As is | by synthesis |
| P-500407156 | 95 | As is | by synthesis |
| P-885545090 | 95 | As is | by synthesis |
| P-596745978 | 95 | As is | 7.6 g |
| P-666992751 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 222.041 |
| logP | 2.19708 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 52.47 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 48.5087 |
| Atoms | 16 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 4 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
