Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3039597251
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 | 6 USD | 98 | 22 working days | Get Quote |
| 5 mg | 6 USD | 98 | 22 working days | Get Quote |
| 10 mg | 6 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-3039597251.sdf |
| SMILES | MCULE-3039597251.smiles |
| Standard InChI | MCULE-3039597251.inchi |
| InChIKey | MCULE-3039597251.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867558068 | 98 | As is | in stock |
| P-875717532 | N/A | As is | in stock |
| P-597023254 | 97 | As is | in stock |
| P-597020747 | 98 | As is | in stock |
| P-869189013 | 95 | As is | in stock |
| P-505352931 | 98 | As is | in stock |
| P-903046136 | 98 | As is | 4 kg |
| P-580238771 | 95 | As is | by synthesis |
| P-905017305 | N/A | As is | by synthesis |
| P-606848293 | N/A | As is | in stock |
| P-596944163 | 98 | As is | 10 kg |
| P-580195904 | 98 | As is | in stock |
| P-494347630 | 95 | As is | 346.6 g |
| P-864088937 | 97 | As is | in stock |
| P-893223200 | 95 | As is | in stock |
| P-517095630 | 90 | As is | in stock |
| P-851272073 | 95 | As is | by synthesis |
| P-868641994 | 97 | As is | in stock |
| P-905318665 | 95 | As is | 328.5 g |
| P-596548759 | 97 | As is | 100 mg |
| P-886856951 | 97 | As is | 100 mg |
| P-579613709 | 98 | As is | 5 kg |
| P-852488384 | N/A | As is | in stock |
| P-854719571 | 95 | As is | in stock |
| P-878641384 | 98 | As is | in stock |
| P-885547869 | 95 | As is | by synthesis |
| P-19841333 | 90 | As is | in stock |
| P-617401868 | N/A | As is | in stock |
| P-869162689 | 95 | As is | by synthesis |
| P-892298291 | 95 | As is | unavailable |
| P-888658046 | 95 | As is | 200 mg |
| P-888592019 | 94 | As is | by resynthesis (? - ? days) |
| P-906768902 | 98 | As is | by synthesis |
| P-611365958 | 90 | As is | in stock |
| P-480891850 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 215.043 |
| logP | 1.9698 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 46.5295 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 7 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
