MCULE-1031776135-0
- 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 | 7 USD | 95 | 14 working days | Get Quote |
| 5 mg | 7 USD | 95 | 14 working days | Get Quote |
| 10 mg | 7 USD | 95 | 14 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-1031776135-0.sdf |
| SMILES | MCULE-1031776135-0.smiles |
| Standard InChI | MCULE-1031776135-0.inchi |
| InChIKey | MCULE-1031776135-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867569659 | 97 | As is | in stock |
| P-875730086 | 95 | As is | in stock |
| P-1275178312 | 98 | As is | in stock |
| P-1275155918 | 95 | As is | in stock |
| P-1275181023 | 98 | As is | in stock |
| P-580194289 | 98 | As is | in stock |
| P-903059017 | 95 | As is | 2.5 kg |
| P-1270360855 | 95 | As is | in stock |
| P-580243681 | 95 | As is | by synthesis |
| P-606911983 | N/A | As is | in stock |
| P-489149025 | 97 | As is | in stock |
| P-596948978 | 98 | As is | 5 kg |
| P-1275495706 | 95 | As is | 150 g |
| P-1273456944 | 95 | As is | by resynthesis (? - ? days) |
| P-864130830 | 95 | As is | in stock |
| P-892504983 | 95 | As is | 25 g |
| P-900154911 | 95 | As is | in stock |
| P-580699553 | 95 | As is | 1.16 kg |
| P-893233414 | 95 | As is | in stock |
| P-454735206 | 90 | As is | in stock |
| P-449699997 | 90 | As is | 230 mg |
| P-54788 | 90 | As is | 1 mg |
| P-436474129 | 95 | As is | in stock |
| P-578527354 | 90 | As is | in stock |
| P-34884564 | 90 | As is | in stock |
| P-851250687 | 95 | As is | by synthesis |
| P-868591369 | 97 | As is | in stock |
| P-500241249 | N/A | As is | in stock |
| P-861987857 | 95 | As is | 213.91 g |
| P-889114474 | 95 | As is | 44 g |
| P-870662541 | 98 | As is | in stock |
| P-505492273 | 95 | As is | in stock |
| P-502533034 | 95 | As is | by synthesis |
| P-492242860 | 95 | As is | in stock |
| P-596548679 | 97 | As is | 100 mg |
| P-31155353 | 90 | As is | unavailable |
| P-588254353 | N/A | As is | by synthesis |
| P-1272581814 | 95 | As is | 500 g |
| P-852444602 | 95 | As is | by synthesis |
| P-854713833 | 95 | As is | in stock |
| P-896629502 | 95 | As is | by synthesis |
| P-871071625 | 95 | As is | in stock |
| P-878640259 | 98 | As is | in stock |
| P-1263956288 | 90 | As is | in stock |
| P-1263959251 | 90 | As is | in stock |
| P-885518276 | 95 | As is | by synthesis |
| P-19521556 | 90 | As is | in stock |
| P-579711618 | 98 | As is | in stock |
| P-869108156 | 95 | As is | 1.003 g |
| P-892286830 | 95 | As is | 1.003 g |
| P-888627192 | 95 | As is | 1.003 g |
| P-502365085 | 90 | As is | in stock |
| P-22527244 | 90 | As is | 24 mg |
| P-906775878 | 98 | As is | by synthesis |
| P-611427057 | 90 | As is | in stock |
| P-3219505 | 90 | As is | 1.8 g |
| P-1916379 | 90 | As is | 1.8 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 241.284 |
| logP | 3.8182 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 49.33 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 72.877 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 15 |
| 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 |

