Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4627478482
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 | 5 USD | 99 | 14 working days | Get Quote |
| 5 mg | 5 USD | 99 | 14 working days | Get Quote |
| 10 mg | 5 USD | 99 | 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-4627478482.sdf |
| SMILES | MCULE-4627478482.smiles |
| Standard InChI | MCULE-4627478482.inchi |
| InChIKey | MCULE-4627478482.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867563180 | 98 | As is | in stock |
| P-875722353 | 98 | As is | in stock |
| P-1275153484 | 98 | As is | in stock |
| P-1275185766 | 99 | As is | in stock |
| P-1275180949 | N/A | As is | in stock |
| P-903051677 | 99 | As is | 50 kg |
| P-1264059452 | 95 | As is | in stock |
| P-580239346 | 95 | As is | by synthesis |
| P-606844332 | N/A | As is | in stock |
| P-489178810 | 97 | As is | in stock |
| P-596945766 | 99 | As is | 43.655 kg |
| P-1273453803 | 95 | As is | by resynthesis (? - ? days) |
| P-494351893 | 95 | As is | 1.109 kg |
| P-864187655 | 98 | As is | in stock |
| P-905616919 | 95 | As is | 700 g |
| P-893227508 | 95 | As is | in stock |
| P-868608635 | 98 | As is | in stock |
| P-1273117959 | 95 | As is | 5.1 kg |
| P-862021322 | 95 | As is | 10.7245 kg |
| P-500417188 | 99 | As is | in stock |
| P-505491662 | 95 | As is | in stock |
| P-492217955 | 95 | As is | in stock |
| P-854062786 | 90 | As is | in stock |
| P-454392540 | 95 | As is | 575.47 g |
| P-454300363 | 95 | As is | 100 mg |
| P-31159209 | 90 | As is | unavailable |
| P-613282645 | 95 | As is | by synthesis |
| P-580462570 | 98 | As is | by synthesis |
| P-852489036 | N/A | As is | by synthesis |
| P-1272592426 | N/A | As is | in stock |
| P-904721297 | 90 | As is | in stock |
| P-854718064 | 95 | As is | in stock |
| P-1275093510 | 95 | As is | in stock |
| P-608271012 | 98 | As is | in stock |
| P-868099482 | 92 | As is | in stock |
| P-885539833 | 95 | As is | by synthesis |
| P-617403567 | 98 | As is | in stock |
| P-12282567 | 90 | As is | 6.71 g |
| P-1274327899 | 95 | As is | in stock |
| P-464626519 | 95 | As is | 3.885 g |
| P-892286868 | 95 | As is | 4.585 g |
| P-888627219 | 95 | As is | 4.585 g |
| P-502353009 | 90 | As is | in stock |
| P-611439979 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 220.350 |
| logP | 4.2956 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 20.23 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 71.971 |
| Atoms | 40 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 24 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| 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 |
