Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5795433853
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 | 3 USD | 95 | 16 working days | Get Quote |
| 5 mg | 3 USD | 95 | 16 working days | Get Quote |
| 10 mg | 3 USD | 95 | 16 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-5795433853.sdf |
| SMILES | MCULE-5795433853.smiles |
| Standard InChI | MCULE-5795433853.inchi |
| InChIKey | MCULE-5795433853.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867547448 | 96 | As is | in stock |
| P-875704702 | 96 | As is | in stock |
| P-597026232 | 95 | As is | unavailable |
| P-1275166039 | 98 | As is | in stock |
| P-1275143001 | 95 | As is | in stock |
| P-1270298201 | 96 | As is | in stock |
| P-606952850 | N/A | As is | in stock |
| P-489216183 | 97 | As is | in stock |
| P-596926629 | 96 | As is | 94 g |
| P-895927364 | 95 | As is | by resynthesis (? - ? days) |
| P-895929567 | 95 | As is | by resynthesis (? - ? days) |
| P-864132419 | 95 | As is | in stock |
| P-584629721 | 96 | As is | 157 g |
| P-868580138 | 96 | As is | in stock |
| P-905361753 | 96 | As is | 211 g |
| P-870647547 | N/A | As is | in stock |
| P-493675567 | N/A | As is | in stock |
| P-524161354 | 98 | As is | 5 g |
| P-856005455 | 98 | As is | 100 mg |
| P-31150669 | 90 | As is | 500 mg |
| P-1272572214 | N/A | As is | 25 g |
| P-852410962 | N/A | As is | by synthesis |
| P-35212713 | 90 | As is | in stock |
| P-854736858 | 95 | As is | in stock |
| P-851370292 | 96 | As is | 764.8 g |
| P-906760560 | 98 | As is | by synthesis |
| P-611383056 | 90 | As is | in stock |
| P-615638217 | 95 | As is | unavailable |
| P-892837217 | 95 | As is | in stock |
| P-1271646792 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 359.373 |
| logP | 4.8188 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 75.63 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 101.963 |
| Atoms | 44 |
| Rings | 4 |
| Heavy atoms | 27 |
| Hydrogen atoms | 17 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
