MCULE-2792049246
- 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 | 23 USD | 95 | 20 working days | Get Quote |
| 5 mg | 23 USD | 95 | 20 working days | Get Quote |
| 10 mg | 23 USD | 95 | 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-2792049246.sdf |
| SMILES | MCULE-2792049246.smiles |
| Standard InChI | MCULE-2792049246.inchi |
| InChIKey | MCULE-2792049246.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886542365 | 98 | As is | in stock |
| P-901257490 | 98 | As is | in stock |
| P-590417797 | 95 | As is | by resynthesis (? - ? days) |
| P-903049204 | 95 | As is | 10 g |
| P-893562795 | 90 | As is | 36.64 g |
| P-1270326746 | 98 | As is | in stock |
| P-580219636 | 95 | As is | by synthesis |
| P-851548666 | N/A | As is | by synthesis |
| P-489238702 | 97 | As is | in stock |
| P-865907174 | 95 | As is | 10 g |
| P-869992314 | 90 | As is | 1000 mg |
| P-864153520 | 95 | As is | in stock |
| P-590806360 | 95 | As is | by synthesis |
| P-454736691 | 90 | As is | in stock |
| P-505590211 | 98 | As is | in stock |
| P-436474656 | 95 | As is | in stock |
| P-868566268 | 98 | As is | in stock |
| P-861983139 | 95 | As is | 15.89 g |
| P-1275223023 | 95 | As is | 2 g |
| P-863612315 | 96 | As is | in stock |
| P-862260258 | 95 | As is | in stock |
| P-524186555 | 95 | As is | 50 mg |
| P-1272574386 | N/A | As is | 500 mg |
| P-852423716 | N/A | As is | by synthesis |
| P-895221217 | 95 | As is | in stock |
| P-492276904 | 95 | As is | 1.619 g |
| P-12416802 | 90 | As is | 1.619 g |
| P-873283219 | N/A | As is | in stock |
| P-454248410 | 90 | As is | 13 mg |
| P-888422351 | 94 | As is | by resynthesis (? - ? days) |
| P-611413060 | 90 | As is | in stock |
| P-1271642676 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 194.226 |
| logP | 2.0574 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 46.53 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 53.9758 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 14 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |

