Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8745470661-1
Structure
Show compound
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 22 working days | Get Quote |
| 5 mg | 7 USD | 95 | 22 working days | Get Quote |
| 10 mg | 7 USD | 95 | 22 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-5937838609-0
- Component type: Main
-
MCULE-1382188418-0
- Component type: Main
-
MCULE-7286832107-1
- Component type: Unknown
-
MCULE-8521377883-0
- Component type: Unknown
-
MCULE-9436070044-1
- Component type: Main
-
MCULE-7170194653-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8745470661-1.sdf |
| SMILES | MCULE-8745470661-1.smiles |
| Standard InChI | MCULE-8745470661-1.inchi |
| InChIKey | MCULE-8745470661-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-901200172 | N/A | As a main component | by synthesis |
| P-869195207 | 95 | As a main component | in stock |
| P-903162298 | 98 | As a main component | 2 kg |
| P-1264048341 | 95 | As a main component | in stock |
| P-1263103967 | N/A | As a main component | by synthesis |
| P-489143722 | 97 | As a main component | in stock |
| P-900247822 | 98 | As a main component | 5 kg |
| P-580196039 | 98 | As a main component | in stock |
| P-864194402 | 95 | As a main component | in stock |
| P-893297415 | 98 | As a main component | by synthesis |
| P-1263347164 | 98 | As a main component | by synthesis |
| P-871220468 | N/A | As a main component | by resynthesis (? - ? days) |
| P-901453093 | 95 | As a main component | by synthesis |
| P-901648784 | 98 | As a main component | in stock |
| P-868614238 | 98 | As a main component | in stock |
| P-579477727 | 95 | As a main component | in stock |
| P-905326835 | 97 | As a main component | 25 g |
| P-500417131 | 98 | As a main component | in stock |
| P-675218444 | 95 | As a main component | in stock |
| P-855928231 | 95 | As a main component | 100 mg |
| P-579637633 | 95 | As a main component | by resynthesis (? - ? days) |
| P-31249397 | 90 | As a main component | unavailable |
| P-895857547 | 95 | As a main component | by synthesis |
| P-895770024 | 95 | As a main component | by synthesis |
| P-902985066 | 95 | As a main component | by synthesis |
| P-900008919 | 95 | As a main component | in stock |
| P-620223244 | 95 | As a main component | 1000 mg |
| P-620068150 | 90 | As a main component | 1000 mg |
| P-885550179 | 95 | As a main component | by synthesis |
| P-33287177 | 90 | As a main component | in stock |
| P-611357144 | 90 | As a main component | in stock |
| P-611567591 | 90 | As a main component | in stock |
| P-867552661 | 95 | As a component | in stock |
| P-867525719 | N/A | As a component | by synthesis |
| P-875710865 | N/A | As a component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 118.154 |
| logP | -0.2228 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 30.2952 |
| Atoms | 20 |
| Rings | 0 |
| Heavy atoms | 8 |
| Hydrogen atoms | 12 |
| 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 |
