Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1830501501-0
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-7740906422-1
- Component type: Main
-
1
MCULE-5932450224-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1830501501-0.sdf |
| SMILES | MCULE-1830501501-0.smiles |
| Standard InChI | MCULE-1830501501-0.inchi |
| InChIKey | MCULE-1830501501-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886555748 | N/A | As is | in stock |
| P-890144994 | N/A | As is | in stock |
| P-874617852 | 97 | As is | in stock |
| P-606856631 | N/A | As is | in stock |
| P-489230635 | 97 | As is | in stock |
| P-895930531 | 95 | As is | by resynthesis (? - ? days) |
| P-869388334 | 95 | As is | in stock |
| P-890242656 | 95 | As is | 1.9 g |
| P-901649966 | 95 | As is | in stock |
| P-855987132 | 97 | As is | 1000 mg |
| P-906768276 | 97 | As is | by synthesis |
| P-855355336 | 90 | As is | in stock |
| P-893795344 | 95 | As is | by synthesis |
| P-867292834 | N/A | Main component as a main component | by synthesis |
| P-901259201 | N/A | Main component as a main component | in stock |
| P-904636866 | 95 | Main component as a main component | in stock |
| P-903077187 | 98 | Main component as a main component | 15 g |
| P-904312230 | 90 | Main component as a main component | 44.679 g |
| P-899937018 | N/A | Main component as a main component | by synthesis |
| P-895094893 | 98 | Main component as a main component | 2 g |
| P-904964167 | 95 | Main component as a main component | in stock |
| P-905562559 | 95 | Main component as a main component | by synthesis |
| P-901888629 | 95 | Main component as a main component | by synthesis |
| P-901530932 | 95 | Main component as a main component | by synthesis |
| P-893232782 | 95 | Main component as a main component | in stock |
| P-861386340 | 95 | Main component as a main component | by synthesis |
| P-870585746 | 95 | Main component as a main component | in stock |
| P-870661280 | N/A | Main component as a main component | in stock |
| P-31248615 | 90 | Main component as a main component | unavailable |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 428.004 |
| logP | 0.9649 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 60.36 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 58.916 |
| Atoms | 16 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 3 |
| Heteroatoms | 6 |
| N/O atoms | 3 |
| Inorganic atoms | 1 |
| 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 |
