MCULE-6016048250
- 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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 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.
-
MCULE-7819777875
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-6016048250.sdf |
| SMILES | MCULE-6016048250.smiles |
| Standard InChI | MCULE-6016048250.inchi |
| InChIKey | MCULE-6016048250.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867581799 | 97 | As is | in stock |
| P-875741118 | N/A | As is | in stock |
| P-881671966 | 95 | As is | in stock |
| P-505390511 | 98 | As is | in stock |
| P-903071414 | 98 | As is | 27 kg |
| P-905479311 | 98 | As is | 100 g |
| P-901164009 | 98 | As is | in stock |
| P-580238175 | 95 | As is | by synthesis |
| P-489148630 | 97 | As is | in stock |
| P-596952972 | 98 | As is | 24 kg |
| P-494320372 | 95 | As is | 88 g |
| P-864092211 | 97 | As is | in stock |
| P-580733209 | 97 | As is | 695 g |
| P-893230405 | 95 | As is | in stock |
| P-448865971 | 90 | As is | 232 mg |
| P-578526898 | 90 | As is | in stock |
| P-851272452 | 95 | As is | by synthesis |
| P-868559962 | 98 | As is | in stock |
| P-580287789 | N/A | As is | by resynthesis (? - ? days) |
| P-905329025 | 98 | As is | 600 g |
| P-861925586 | 98 | As is | 29.58 kg |
| P-505495719 | 95 | As is | in stock |
| P-524164893 | 98 | As is | 500 g |
| P-855992727 | 98 | As is | 100 mg |
| P-579612489 | 95 | As is | 1000 g |
| P-856014485 | 90 | As is | unavailable |
| P-580482260 | 97 | As is | by synthesis |
| P-852381176 | N/A | As is | in stock |
| P-854731948 | 95 | As is | in stock |
| P-424221376 | 90 | As is | 574 mg |
| P-500382048 | 98 | As is | by synthesis |
| P-885548476 | 95 | As is | by synthesis |
| P-579707524 | N/A | As is | in stock |
| P-596771831 | 97 | As is | 780 g |
| P-502349645 | 90 | As is | in stock |
| P-23191597 | 94 | As is | by resynthesis (? - ? days) |
| P-906772031 | 98 | As is | by synthesis |
| P-611370379 | 90 | As is | in stock |
| P-893656876 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 185.109 |
| logP | 1.9553 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 83.12 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 42.1813 |
| Atoms | 17 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 4 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 |

