MCULE-3719757790
- 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 | 10 USD | 98 | 20 working days | Get Quote |
| 5 mg | 10 USD | 98 | 20 working days | Get Quote |
| 10 mg | 10 USD | 98 | 20 working days | Get Quote |
- 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-3719757790.sdf |
| SMILES | MCULE-3719757790.smiles |
| Standard InChI | MCULE-3719757790.inchi |
| InChIKey | MCULE-3719757790.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867585098 | 95 | As is | in stock |
| P-875742978 | N/A | As is | in stock |
| P-579762471 | 95 | As is | in stock |
| P-903073243 | 98 | As is | 280 g |
| P-851878219 | N/A | As is | by synthesis |
| P-489187466 | 97 | As is | in stock |
| P-597008181 | 98 | As is | 175 g |
| P-552038577 | 95 | As is | by resynthesis (? - ? days) |
| P-889540188 | 95 | As is | in stock |
| P-591033674 | 98 | As is | by synthesis |
| P-901507941 | 95 | As is | by synthesis |
| P-861283919 | 95 | As is | in stock |
| P-868613395 | 98 | As is | in stock |
| P-862056278 | 98 | As is | 26 g |
| P-502509461 | 95 | As is | by synthesis |
| P-519761863 | 97 | As is | 760.2 g |
| P-35179426 | 97 | As is | 760.2 kg |
| P-869094414 | 95 | As is | in stock |
| P-889865445 | 95 | As is | by synthesis |
| P-896074022 | N/A | As is | 26.538 g |
| P-502384399 | 90 | As is | in stock |
| P-906759745 | 99 | As is | by synthesis |
| P-611385784 | 90 | As is | in stock |
| P-666976613 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 198.670 |
| logP | 3.0185 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 42.37 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 51.2535 |
| Atoms | 19 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 7 |
| Heteroatoms | 3 |
| N/O atoms | 1 |
| 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 |

