Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9819770935-0
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 | 10 USD | 98 | 20 working days | Get Quote |
| 5 mg | 10 USD | 98 | 20 working days | Get Quote |
| 10 mg | 10 USD | 98 | 20 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.
-
1
MCULE-2001584644-0
- Component type: Main
-
2
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9819770935-0.sdf |
| SMILES | MCULE-9819770935-0.smiles |
| Standard InChI | MCULE-9819770935-0.inchi |
| InChIKey | MCULE-9819770935-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-860651023 | N/A | As is | by synthesis |
| P-615719309 | 98 | As is | in stock |
| P-893430216 | 90 | As is | by synthesis |
| P-851575853 | N/A | As is | by synthesis |
| P-489239272 | 97 | As is | in stock |
| P-864273221 | 95 | As is | by synthesis |
| P-590915873 | 95 | As is | by synthesis |
| P-851300717 | 95 | As is | by synthesis |
| P-861558348 | 95 | As is | by synthesis |
| P-580409041 | 95 | As is | by resynthesis (? - ? days) |
| P-579637532 | 95 | As is | by resynthesis (? - ? days) |
| P-886917384 | 95 | As is | by synthesis |
| P-867573822 | 97 | Main component | in stock |
| P-875733960 | N/A | Main component | in stock |
| P-505393301 | 95 | Main component | in stock |
| P-903063884 | 97 | Main component | 100 g |
| P-893512433 | 90 | Main component | 15.1 g |
| P-580265342 | 95 | Main component | by synthesis |
| P-606915573 | N/A | Main component | in stock |
| P-489135964 | 97 | Main component | in stock |
| P-596950312 | 98 | Main component | 15 g |
| P-864086724 | 97 | Main component | in stock |
| P-590626948 | 97 | Main component | 26.788 g |
| P-901471912 | 95 | Main component | by synthesis |
| P-851300718 | 95 | Main component | by synthesis |
| P-868581152 | 97 | Main component | in stock |
| P-580429667 | 95 | Main component | by resynthesis (? - ? days) |
| P-861958783 | 97 | Main component | 75 g |
| P-505519332 | 95 | Main component | in stock |
| P-18811584 | 95 | Main component | 36.954 g |
| P-454402549 | 95 | Main component | 36.954 g |
| P-579613313 | 95 | Main component | unavailable |
| P-580506761 | N/A | Main component | by synthesis |
| P-852415668 | N/A | Main component | in stock |
| P-500406216 | 98 | Main component | by synthesis |
| P-885534489 | 95 | Main component | by synthesis |
| P-502399205 | 90 | Main component | in stock |
| P-906905140 | 97 | Main component | in stock |
| P-611475845 | 90 | Main component | in stock |
| P-893646850 | 95 | Main component | by synthesis |
| P-892870190 | 96 | Main component as a main component | in stock |
| P-901282990 | N/A | Main component as a main component | in stock |
| P-869217778 | 95 | Main component as a main component | in stock |
| P-851477780 | N/A | Main component as a main component | by synthesis |
| P-590763549 | 96 | Main component as a main component | by synthesis |
| P-868554858 | 96 | Main component as a main component | in stock |
| P-855942750 | 95 | Main component as a main component | 25 g |
| P-895534509 | 95 | Main component as a main component | by synthesis |
| P-1263959157 | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 277.230 |
| logP | 3.8032 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 15.27 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 81.6787 |
| Atoms | 39 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 22 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
