Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4557025081-0
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 | 7 USD | 95 | 14 working days | Get Quote |
| 5 mg | 7 USD | 95 | 14 working days | Get Quote |
| 10 mg | 7 USD | 95 | 14 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-8510501543-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4557025081-0.sdf |
| SMILES | MCULE-4557025081-0.smiles |
| Standard InChI | MCULE-4557025081-0.inchi |
| InChIKey | MCULE-4557025081-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867642002 | 95 | As is | in stock |
| P-875808021 | N/A | As is | in stock |
| P-611624049 | N/A | As is | in stock |
| P-903165794 | 95 | As is | 1.3 kg |
| P-606905757 | N/A | As is | in stock |
| P-489114431 | 97 | As is | in stock |
| P-865922578 | 95 | As is | 1.2 kg |
| P-872723542 | 98 | As is | in stock |
| P-869383142 | 97 | As is | in stock |
| P-855390989 | 98 | As is | 35 g |
| P-617653135 | 90 | As is | in stock |
| P-584607383 | 95 | As is | 100 g |
| P-617324258 | 90 | As is | in stock |
| P-868582557 | 98 | As is | in stock |
| P-905434582 | 98 | As is | 1.47982 kg |
| P-608220537 | 97 | As is | in stock |
| P-870647972 | 98 | As is | in stock |
| P-492242818 | 95 | As is | in stock |
| P-524163607 | 98 | As is | 500 g |
| P-524163608 | 98 | As is | 100 g |
| P-563583085 | 97 | As is | 250 g |
| P-579631465 | 95 | As is | by resynthesis (? - ? days) |
| P-31194739 | 90 | As is | unavailable |
| P-895224516 | 95 | As is | in stock |
| P-621853527 | 90 | As is | by synthesis |
| P-26431911 | 90 | As is | 50 mg |
| P-885518296 | 95 | As is | by synthesis |
| P-675098054 | 90 | As is | in stock |
| P-888439938 | 94 | As is | by resynthesis (? - ? days) |
| P-906868082 | 98 | As is | by synthesis |
| P-906778746 | 99 | As is | by synthesis |
| P-906775201 | 99 | As is | by synthesis |
| P-617769097 | 90 | As is | 1.63 g |
| P-617714919 | 90 | As is | 1.63 g |
| P-893989571 | 95 | As is | in stock |
| P-872759443 | 95 | As is | in stock |
| P-852142461 | 95 | Main component | by synthesis |
| P-889967492 | N/A | Main component | by synthesis |
| P-611095030 | 95 | Main component | by synthesis |
| P-580288288 | N/A | Main component | by resynthesis (? - ? days) |
| P-890214729 | 90 | Main component | in stock |
| P-590337154 | 90 | Main component | 1000 mg |
| P-895769559 | 95 | Main component | by synthesis |
| P-885516873 | 95 | Main component | by synthesis |
| P-611564603 | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 181.659 |
| logP | 2.0351 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 52.32 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 46.7204 |
| Atoms | 27 |
| Rings | 0 |
| Heavy atoms | 11 |
| Hydrogen atoms | 16 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
