MCULE-4208350700
- 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 | 298 USD | 95 | 14 working days | Get Quote |
| 5 mg | 298 USD | 95 | 14 working days | Get Quote |
| 10 mg | 298 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.
-
MCULE-7554713092
- Component type: Main
-
MCULE-5494431699
- Component type: Main
-
MCULE-3552812555
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4208350700.sdf |
| SMILES | MCULE-4208350700.smiles |
| Standard InChI | MCULE-4208350700.inchi |
| InChIKey | MCULE-4208350700.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1270514497 | 95 | As is | by synthesis |
| P-1268961764 | 95 | As is | by synthesis |
| P-894632201 | 95 | As is | by resynthesis (? - ? days) |
| P-851613545 | N/A | As is | by synthesis |
| P-864285969 | 98 | As is | by synthesis |
| P-611088973 | 95 | As is | by synthesis |
| P-854769364 | 95 | As is | by synthesis |
| P-1271462674 | 95 | As is | by synthesis |
| P-886743273 | 95 | As a main component | in stock |
| P-886743275 | 95 | As a main component | in stock |
| P-892883668 | 95 | As a main component | in stock |
| P-901299216 | 95 | As a main component | in stock |
| P-890036283 | 95 | As a main component | by synthesis |
| P-890036285 | 95 | As a main component | by synthesis |
| P-894634866 | 95 | As a main component | by resynthesis (? - ? days) |
| P-903322269 | 95 | As a main component | 500 mg |
| P-903322271 | 95 | As a main component | 10 g |
| P-893506601 | 90 | As a main component | 28.15 g |
| P-1270279304 | 98 | As a main component | in stock |
| P-899933716 | N/A | As a main component | by synthesis |
| P-904761337 | N/A | As a main component | by synthesis |
| P-904764562 | N/A | As a main component | by synthesis |
| P-864321450 | 95 | As a main component | by synthesis |
| P-864182219 | 95 | As a main component | in stock |
| P-901884754 | 95 | As a main component | by synthesis |
| P-905583273 | 95 | As a main component | by synthesis |
| P-905574237 | 95 | As a main component | by synthesis |
| P-868569116 | 96 | As a main component | in stock |
| P-878214456 | 95 | As a main component | 100 mg |
| P-895440543 | 95 | As a main component | by synthesis |
| P-854919816 | 95 | As a main component | by synthesis |
| P-596765793 | 90 | As a main component | 0 mg |
| P-906884092 | 95 | As a main component | by synthesis |
| P-886934622 | 95 | As a main component | by synthesis |
| P-893780883 | 95 | As a main component | by synthesis |
| P-893781356 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 174.199 |
| logP | 0.9465 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 41.13 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 55.8344 |
| Atoms | 23 |
| Rings | 3 |
| Heavy atoms | 13 |
| Hydrogen atoms | 10 |
| 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 |

