Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1011921279
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 | 7 USD | 98 | 20 working days | Get Quote |
| 5 mg | 7 USD | 98 | 20 working days | Get Quote |
| 10 mg | 7 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-1775451572
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1011921279.sdf |
| SMILES | MCULE-1011921279.smiles |
| Standard InChI | MCULE-1011921279.inchi |
| InChIKey | MCULE-1011921279.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886639011 | N/A | As is | in stock |
| P-890163661 | N/A | As is | in stock |
| P-904621203 | 95 | As is | in stock |
| P-864216439 | 95 | As is | by synthesis |
| P-861499678 | 95 | As is | by synthesis |
| P-895700745 | 95 | As is | by synthesis |
| P-867563987 | 98 | Main component | in stock |
| P-875723674 | N/A | Main component | in stock |
| P-590396180 | 98 | Main component | in stock |
| P-903052925 | 98 | Main component | 600 g |
| P-905488139 | 98 | Main component | 100 g |
| P-596946255 | 98 | Main component | 200 g |
| P-579785138 | 95 | Main component | by resynthesis (? - ? days) |
| P-864140657 | 98 | Main component | in stock |
| P-905499341 | N/A | Main component | in stock |
| P-893251793 | 95 | Main component | by synthesis |
| P-505594013 | 97 | Main component | in stock |
| P-868602599 | 97 | Main component | in stock |
| P-862020641 | 95 | Main component | 752.773 g |
| P-905343231 | 95 | Main component | 10 g |
| P-870646899 | N/A | Main component | in stock |
| P-870646900 | N/A | Main component | in stock |
| P-870648600 | 98 | Main component | in stock |
| P-505494845 | 95 | Main component | in stock |
| P-855998414 | 97 | Main component | 9.969 g |
| P-855992308 | 98 | Main component | 100 mg |
| P-524162818 | 98 | Main component | 100 g |
| P-454396518 | 97 | Main component | 100 g |
| P-579631616 | 98 | Main component | by resynthesis (? - ? days) |
| P-31189403 | 90 | Main component | 30 mg |
| P-613297436 | 95 | Main component | by synthesis |
| P-580515059 | 97 | Main component | 55 g |
| P-852606274 | N/A | Main component | in stock |
| P-500402392 | 98 | Main component | by synthesis |
| P-885547679 | 95 | Main component | by synthesis |
| P-22488191 | 90 | Main component | 181 mg |
| P-906900763 | 98 | Main component | in stock |
| P-906904811 | 98 | Main component | in stock |
| P-611365243 | 90 | Main component | in stock |
| P-615398540 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 280.544 |
| logP | 2.9058 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 63.32 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 60.1662 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 11 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
