Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5538536632
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 | 7 USD | 98 | 22 working days | Get Quote |
| 5 mg | 17 USD | 98 | 22 working days | Get Quote |
| 10 mg | 17 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-5538536632.sdf |
| SMILES | MCULE-5538536632.smiles |
| Standard InChI | MCULE-5538536632.inchi |
| InChIKey | MCULE-5538536632.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867566116 | 98 | As is | in stock |
| P-875725688 | N/A | As is | in stock |
| P-890257886 | 97 | As is | by synthesis |
| P-590360685 | 95 | As is | in stock |
| P-505401748 | 95 | As is | in stock |
| P-903055126 | 98 | As is | 4 g |
| P-610962040 | 90 | As is | 49.857 g |
| P-489192082 | 97 | As is | in stock |
| P-596947206 | 98 | As is | 25 g |
| P-864125656 | 95 | As is | in stock |
| P-860056589 | 98 | As is | by synthesis |
| P-868543703 | 98 | As is | in stock |
| P-893236632 | 95 | As is | in stock |
| P-851268137 | 95 | As is | by synthesis |
| P-580451470 | 98 | As is | in stock |
| P-861463304 | 95 | As is | by synthesis |
| P-608495611 | 95 | As is | in stock |
| P-500418040 | 97 | As is | in stock |
| P-675215922 | 95 | As is | in stock |
| P-596562621 | 97 | As is | 250 mg |
| P-563392979 | 97 | As is | 1000 mg |
| P-524442683 | 97 | As is | 18 mg |
| P-579622389 | 95 | As is | 10 g |
| P-852433454 | N/A | As is | in stock |
| P-896628106 | 95 | As is | by synthesis |
| P-854718246 | 95 | As is | in stock |
| P-474026430 | 95 | As is | in stock |
| P-888171001 | 98 | As is | by synthesis |
| P-888171231 | 98 | As is | by synthesis |
| P-491318620 | 95 | As is | by synthesis |
| P-579710161 | N/A | As is | in stock |
| P-869162331 | 95 | As is | by synthesis |
| P-892297446 | 95 | As is | 841 mg |
| P-888657707 | 95 | As is | 841 mg |
| P-596714713 | 90 | As is | 50 mg |
| P-906775796 | 99 | As is | by synthesis |
| P-886927752 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 275.342 |
| logP | 2.9489 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 47.56 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 80.7297 |
| Atoms | 41 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 21 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
