Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1645467056
Compound
Show structure
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 | 5 USD | 95 | 10 working days | Get Quote |
| 5 mg | 5 USD | 95 | 10 working days | Get Quote |
| 10 mg | 5 USD | 95 | 10 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-4252141512
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1645467056.sdf |
| SMILES | MCULE-1645467056.smiles |
| Standard InChI | MCULE-1645467056.inchi |
| InChIKey | MCULE-1645467056.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867578353 | 97 | As is | in stock |
| P-875738201 | N/A | As is | in stock |
| P-869180632 | 95 | As is | in stock |
| P-590379943 | 98 | As is | in stock |
| P-903068431 | 95 | As is | 400 g |
| P-893585032 | 90 | As is | 729.422 g |
| P-901166609 | 97 | As is | in stock |
| P-580198010 | 95 | As is | 53.5 g |
| P-606865648 | N/A | As is | in stock |
| P-596951852 | 95 | As is | 200 g |
| P-494319469 | 95 | As is | 10.6 g |
| P-864117636 | 95 | As is | in stock |
| P-868578447 | 97 | As is | in stock |
| P-580417542 | 95 | As is | by resynthesis (? - ? days) |
| P-905328501 | 85 | As is | 145 g |
| P-861921971 | 85 | As is | 15.95 g |
| P-889110271 | 85 | As is | 588 g |
| P-505543032 | 95 | As is | in stock |
| P-505520528 | 95 | As is | in stock |
| P-454350886 | 95 | As is | 100 mg |
| P-454416725 | 95 | As is | 10 g |
| P-579621288 | 95 | As is | 5 kg |
| P-31227897 | 90 | As is | unavailable |
| P-580468020 | N/A | As is | by synthesis |
| P-852378885 | N/A | As is | in stock |
| P-854738360 | 95 | As is | in stock |
| P-500393141 | 95 | As is | by synthesis |
| P-885549393 | 95 | As is | by synthesis |
| P-596747080 | 97 | As is | 409.1 g |
| P-502327037 | 90 | As is | in stock |
| P-22496321 | 90 | As is | 931 mg |
| P-855218361 | 90 | As is | in stock |
| P-893990394 | 95 | As is | in stock |
| P-892857654 | 95 | As a main component | in stock |
| P-890149218 | N/A | As a main component | in stock |
| P-903100132 | 95 | As a main component | 50 g |
| P-580241298 | 95 | As a main component | by synthesis |
| P-851690769 | N/A | As a main component | by synthesis |
| P-489153351 | 97 | As a main component | in stock |
| P-865913159 | 95 | As a main component | 50 g |
| P-864089561 | 95 | As a main component | in stock |
| P-590931232 | 95 | As a main component | by synthesis |
| P-861550656 | 95 | As a main component | by synthesis |
| P-580289515 | N/A | As a main component | by resynthesis (? - ? days) |
| P-454424656 | 95 | As a main component | 250 mg |
| P-579636038 | 95 | As a main component | by resynthesis (? - ? days) |
| P-852459213 | N/A | As a main component | in stock |
| P-906907009 | 98 | As a main component | in stock |
| P-611364379 | 90 | As a main component | in stock |
| P-481008633 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 243.148 |
| logP | 3.8832 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 26.02 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 44.1194 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 7 |
| Heteroatoms | 7 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 6 |
| 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 |
