MCULE-2009941291
- 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 | 34 USD | 95 | 12 working days | Get Quote |
| 5 mg | 53 USD | 90 | 22 working days | Get Quote |
| 10 mg | 69 USD | 90 | 22 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-2009941291.sdf |
| SMILES | MCULE-2009941291.smiles |
| Standard InChI | MCULE-2009941291.inchi |
| InChIKey | MCULE-2009941291.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872842972 | 98 | As is | in stock |
| P-875880188 | 98 | As is | in stock |
| P-903393921 | 98 | As is | 800 mg |
| P-893611946 | 90 | As is | 8.032 g |
| P-1270403842 | 98 | As is | in stock |
| P-1264207840 | N/A | As is | by synthesis |
| P-888832973 | 98 | As is | 200 mg |
| P-1273265746 | 95 | As is | by resynthesis (? - ? days) |
| P-889583670 | 95 | As is | in stock |
| P-1264197047 | 98 | As is | by synthesis |
| P-6680888 | 90 | As is | 100 mg |
| P-889730211 | 95 | As is | by synthesis |
| P-872607410 | 95 | As is | in stock |
| P-13281057 | 92 | As is | 300 mg |
| P-873243510 | 95 | As is | 5 mg |
| P-868744475 | 95 | As is | in stock |
| P-878648885 | 98 | As is | in stock |
| P-645132086 | 90 | As is | by synthesis |
| P-19136469 | 90 | As is | in stock |
| P-13169053 | 90 | As is | 58 mg |
| P-892300863 | 95 | As is | unavailable |
| P-869165034 | 95 | As is | 1.037 g |
| P-888660025 | 95 | As is | 1.031 g |
| P-901024 | 90 | As is | 251 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 303.767 |
| logP | 4.0773 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 77.11 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 78.747 |
| Atoms | 30 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 10 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| 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 |

