Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5295662678
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 | 42 USD | 98 | 16 working days | Get Quote |
| 5 mg | 42 USD | 98 | 16 working days | Get Quote |
| 10 mg | 68 USD | 98 | 16 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-7870760721
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-5295662678.sdf |
| SMILES | MCULE-5295662678.smiles |
| Standard InChI | MCULE-5295662678.inchi |
| InChIKey | MCULE-5295662678.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-869246040 | 95 | As is | by resynthesis (? - ? days) |
| P-901486760 | 95 | As is | by synthesis |
| P-895187991 | 95 | As is | by synthesis |
| P-1274347581 | 95 | As is | unavailable |
| P-1274357982 | 95 | As is | unavailable |
| P-867628579 | N/A | As a main component | in stock |
| P-875792324 | 98 | As a main component | in stock |
| P-869221261 | 95 | As a main component | by resynthesis (? - ? days) |
| P-903142642 | N/A | As a main component | 100 mg |
| P-893607615 | 90 | As a main component | 565 mg |
| P-868830484 | N/A | As a main component | 100 mg |
| P-869395859 | 95 | As a main component | by synthesis |
| P-901486761 | 95 | As a main component | by synthesis |
| P-851336971 | 95 | As a main component | by synthesis |
| P-861370168 | 95 | As a main component | by synthesis |
| P-579481502 | 95 | As a main component | in stock |
| P-862145271 | N/A | As a main component | 100 mg |
| P-1273109913 | 97 | As a main component | 100 mg |
| P-854718708 | 95 | As a main component | in stock |
| P-584615076 | 95 | As a main component | in stock |
| P-878641355 | 98 | As a main component | in stock |
| P-892294872 | 95 | As a main component | unavailable |
| P-869160867 | 95 | As a main component | 26 mg |
| P-888656092 | 95 | As a main component | 26 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 348.480 |
| logP | 4.6827 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 32.34 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 112.3622 |
| Atoms | 54 |
| Rings | 3 |
| Heavy atoms | 26 |
| Hydrogen atoms | 28 |
| 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 |
