Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6797729647
Compound
Show structures
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 | 26 USD | 98 | 22 working days | Get Quote |
| 5 mg | 26 USD | 98 | 22 working days | Get Quote |
| 10 mg | 26 USD | 98 | 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-1949973327
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-6797729647.sdf |
| SMILES | MCULE-6797729647.smiles |
| Standard InChI | MCULE-6797729647.inchi |
| InChIKey | MCULE-6797729647.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875801020 | N/A | As is | in stock |
| P-619180708 | 98 | As is | unavailable |
| P-864258849 | 98 | As is | by synthesis |
| P-901416449 | 95 | As is | by synthesis |
| P-861466206 | 95 | As is | by synthesis |
| P-580301238 | 95 | As is | by resynthesis (? - ? days) |
| P-905317422 | 98 | As is | in stock |
| P-502535433 | 95 | As is | by synthesis |
| P-890850267 | 95 | As is | in stock |
| P-855982985 | 97 | As is | 25 g |
| P-31253118 | 90 | As is | unavailable |
| P-900008896 | 95 | As is | in stock |
| P-608275858 | 98 | As is | in stock |
| P-885541146 | 95 | As is | by synthesis |
| P-904255954 | 95 | As is | in stock |
| P-464618768 | 95 | As is | by synthesis |
| P-892286142 | 95 | As is | unavailable |
| P-888626571 | 95 | As is | 21.72 g |
| P-855006609 | 90 | As is | in stock |
| P-854985580 | 90 | As is | in stock |
| P-867643379 | 95 | As a main component | in stock |
| P-875809568 | N/A | As a main component | in stock |
| P-869324368 | 95 | As a main component | in stock |
| P-903168976 | 98 | As a main component | 300 g |
| P-893576232 | 90 | As a main component | 355.965 g |
| P-865922851 | 98 | As a main component | 300 g |
| P-864158314 | 95 | As a main component | in stock |
| P-868568364 | 95 | As a main component | in stock |
| P-608495306 | 95 | As a main component | in stock |
| P-855920308 | 97 | As a main component | 25 g |
| P-899992571 | 95 | As a main component | in stock |
| P-888173973 | 98 | As a main component | by synthesis |
| P-617403776 | N/A | As a main component | in stock |
| P-906838718 | 98 | As a main component | by synthesis |
| P-893997918 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 129.243 |
| logP | 2.8602 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 26.02 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 43.2774 |
| Atoms | 28 |
| Rings | 0 |
| Heavy atoms | 9 |
| Hydrogen atoms | 19 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
