Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5033566443
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 | 12 USD | 98 | 22 working days | Get Quote |
| 5 mg | 12 USD | 98 | 22 working days | Get Quote |
| 10 mg | 12 USD | 98 | 22 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-5033566443.sdf |
| SMILES | MCULE-5033566443.smiles |
| Standard InChI | MCULE-5033566443.inchi |
| InChIKey | MCULE-5033566443.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867636273 | 98 | As is | in stock |
| P-875800987 | N/A | As is | in stock |
| P-588247004 | 98 | As is | in stock |
| P-903155020 | 95 | As is | 2.5 g |
| P-851846738 | N/A | As is | by synthesis |
| P-864265397 | 95 | As is | by synthesis |
| P-590996227 | 95 | As is | by synthesis |
| P-454705464 | 90 | As is | in stock |
| P-436456590 | 95 | As is | in stock |
| P-34891584 | 90 | As is | in stock |
| P-861535085 | 95 | As is | by synthesis |
| P-580425789 | 95 | As is | by resynthesis (? - ? days) |
| P-905311169 | 95 | As is | 10.55 g |
| P-505494684 | 95 | As is | in stock |
| P-488552134 | 90 | As is | in stock |
| P-13778206 | 92 | As is | 300 mg |
| P-588708942 | 95 | As is | unavailable |
| P-852429263 | N/A | As is | in stock |
| P-854840784 | 95 | As is | by synthesis |
| P-454369764 | 92 | As is | in stock |
| P-13979723 | 92 | As is | 300 mg |
| P-500400921 | 98 | As is | by synthesis |
| P-885518891 | 95 | As is | by synthesis |
| P-19649006 | 90 | As is | in stock |
| P-502340180 | 90 | As is | in stock |
| P-888498337 | 94 | As is | by resynthesis (? - ? days) |
| P-611365736 | 90 | As is | in stock |
| P-35145818 | 90 | As is | 1000 mg |
| P-464682480 | 90 | As is | 1000 mg |
| P-575303642 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 180.204 |
| logP | 0.963 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 4 |
| PSA | 75.35 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 49.8114 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 12 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
