Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3542752974
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 | 54 USD | N/A | 14 working days | Get Quote |
| 5 mg | 58 USD | 95 | 14 working days | Get Quote |
| 10 mg | 78 USD | 95 | 14 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-3542752974.sdf |
| SMILES | MCULE-3542752974.smiles |
| Standard InChI | MCULE-3542752974.inchi |
| InChIKey | MCULE-3542752974.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867593662 | 98 | As is | in stock |
| P-875753132 | N/A | As is | in stock |
| P-869279659 | 95 | As is | in stock |
| P-903085389 | N/A | As is | 100 mg |
| P-904320394 | 90 | As is | 7.734 g |
| P-881626358 | N/A | As is | by synthesis |
| P-895095113 | 99 | As is | 100 mg |
| P-869420183 | 95 | As is | by synthesis |
| P-860056517 | 98 | As is | by synthesis |
| P-868543699 | 99 | As is | in stock |
| P-591111208 | 98 | As is | by synthesis |
| P-901427452 | 95 | As is | by synthesis |
| P-901459837 | 95 | As is | by synthesis |
| P-580451070 | 99 | As is | in stock |
| P-887188284 | 95 | As is | by synthesis |
| P-868660193 | 95 | As is | in stock |
| P-889117776 | 98 | As is | 50 mg |
| P-500419357 | 98 | As is | in stock |
| P-873244711 | 97 | As is | 100 mg |
| P-1263155532 | 95 | As is | by synthesis |
| P-854715685 | 95 | As is | in stock |
| P-871073948 | 95 | As is | in stock |
| P-869120586 | 95 | As is | by synthesis |
| P-904246125 | 95 | As is | unavailable |
| P-888635364 | 95 | As is | unavailable |
| P-611442005 | 90 | As is | in stock |
| P-886968125 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 352.855 |
| logP | 5.4257 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 33.2 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 104.5075 |
| Atoms | 46 |
| Rings | 3 |
| Heavy atoms | 25 |
| Hydrogen atoms | 21 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
