Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5072263589
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 | 14 USD | N/A | 9 working days | Get Quote |
| 5 mg | 20 USD | 98 | 16 working days | Get Quote |
| 10 mg | 31 USD | 98 | 16 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-5072263589.sdf |
| SMILES | MCULE-5072263589.smiles |
| Standard InChI | MCULE-5072263589.inchi |
| InChIKey | MCULE-5072263589.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867589658 | 98 | As is | in stock |
| P-875749582 | N/A | As is | in stock |
| P-595214953 | 95 | As is | in stock |
| P-903080489 | 99 | As is | 500 mg |
| P-1264048167 | 95 | As is | in stock |
| P-893584803 | 90 | As is | 15.15 g |
| P-606888795 | N/A | As is | in stock |
| P-489239758 | 97 | As is | in stock |
| P-596931835 | 99 | As is | 500 mg |
| P-580192601 | 98 | As is | in stock |
| P-869790657 | 90 | As is | 221 mg |
| P-864109686 | 95 | As is | in stock |
| P-608390007 | 98 | As is | 440 mg |
| P-901427494 | 95 | As is | by synthesis |
| P-4648344 | 90 | As is | 25 mg |
| P-19987584 | 90 | As is | in stock |
| P-851239460 | 95 | As is | by synthesis |
| P-860798755 | 98 | As is | in stock |
| P-861492692 | 95 | As is | by synthesis |
| P-34742435 | 90 | As is | by synthesis |
| P-579479204 | 95 | As is | in stock |
| P-870660460 | N/A | As is | in stock |
| P-675216046 | 95 | As is | in stock |
| P-502613506 | 90 | As is | in stock |
| P-12750835 | 92 | As is | 143 mg |
| P-596561809 | 95 | As is | 250 mg |
| P-579629162 | 98 | As is | unavailable |
| P-14070999 | 90 | As is | 176 mg |
| P-852519450 | N/A | As is | in stock |
| P-854714862 | 95 | As is | in stock |
| P-474027143 | 95 | As is | in stock |
| P-608278638 | 98 | As is | in stock |
| P-621256539 | 90 | As is | by synthesis |
| P-491318655 | 95 | As is | by synthesis |
| P-34120812 | 90 | As is | in stock |
| P-579712858 | N/A | As is | in stock |
| P-12483338 | 90 | As is | 53 mg |
| P-869161915 | 95 | As is | by synthesis |
| P-892296824 | 95 | As is | unavailable |
| P-888657302 | 95 | As is | 100 mg |
| P-22517611 | 90 | As is | 50 mg |
| P-25092246 | 90 | As is | 2.19 g |
| P-666967017 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 360.429 |
| logP | 3.7686 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 118.89 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 97.0441 |
| Atoms | 45 |
| Rings | 3 |
| Heavy atoms | 25 |
| Hydrogen atoms | 20 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| 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 |
