Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8761929920-0
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-6528879968-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8761929920-0.sdf |
| SMILES | MCULE-8761929920-0.smiles |
| Standard InChI | MCULE-8761929920-0.inchi |
| InChIKey | MCULE-8761929920-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867601063 | 95 | Main component | in stock |
| P-875758465 | N/A | Main component | in stock |
| P-590357389 | 95 | Main component | in stock |
| P-903094016 | 95 | Main component | 2.5 g |
| P-893399374 | 90 | Main component | by synthesis |
| P-851708258 | N/A | Main component | by synthesis |
| P-596384671 | 90 | Main component | 70 mg |
| P-596490619 | 90 | Main component | 70 mg |
| P-889517663 | 95 | Main component | by synthesis |
| P-591111160 | 95 | Main component | by synthesis |
| P-492249789 | 95 | Main component | in stock |
| P-6514347 | 90 | Main component | 25 mg |
| P-454629441 | 90 | Main component | in stock |
| P-505587625 | 97 | Main component | in stock |
| P-436451109 | 95 | Main component | 10 g |
| P-578185809 | 90 | Main component | in stock |
| P-861443373 | 95 | Main component | by synthesis |
| P-579803027 | 90 | Main component | in stock |
| P-580089212 | 95 | Main component | 1.49 g |
| P-896538637 | 95 | Main component | 15 g |
| P-502447858 | 95 | Main component | by synthesis |
| P-503087751 | 90 | Main component | by synthesis |
| P-492222315 | 95 | Main component | in stock |
| P-488553270 | 90 | Main component | in stock |
| P-13844122 | 95 | Main component | 300 mg |
| P-563670844 | 95 | Main component | 1000 mg |
| P-852383810 | N/A | Main component | in stock |
| P-519759604 | 97 | Main component | 10.05 g |
| P-428054754 | 97 | Main component | 10.05 kg |
| P-874442746 | 95 | Main component | by synthesis |
| P-12961093 | 90 | Main component | 1.49 g |
| P-492285916 | 95 | Main component | 1.09 g |
| P-454370295 | 92 | Main component | in stock |
| P-23811564 | 92 | Main component | 300 mg |
| P-856063204 | 95 | Main component | in stock |
| P-519779990 | 90 | Main component | in stock |
| P-896080482 | N/A | Main component | 24.773 g |
| P-502358528 | 90 | Main component | in stock |
| P-23298259 | 94 | Main component | by resynthesis (? - ? days) |
| P-873037227 | 90 | Main component | 3 mg |
| P-611431979 | 90 | Main component | in stock |
| P-611433657 | 90 | Main component | in stock |
| P-3230209 | 90 | Main component | 1.02 g |
| P-1576635 | 90 | Main component | 1.02 g |
| P-893663306 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 241.644 |
| logP | 3.1825 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 50.19 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 60.5913 |
| Atoms | 25 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 9 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| 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 |
