Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1929985725
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 | 39 USD | 90 | 22 working days | Get Quote |
| 5 mg | 57 USD | 90 | 22 working days | Get Quote |
| 10 mg | 60 USD | 95 | 12 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-7671875172
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1929985725.sdf |
| SMILES | MCULE-1929985725.smiles |
| Standard InChI | MCULE-1929985725.inchi |
| InChIKey | MCULE-1929985725.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893137959 | N/A | As is | by synthesis |
| P-870654757 | N/A | As is | in stock |
| P-892944154 | N/A | Main component | by synthesis |
| P-893183582 | N/A | Main component | by synthesis |
| P-612880720 | N/A | Main component | by synthesis |
| P-889906174 | N/A | Main component | by synthesis |
| P-874619107 | 95 | Main component | in stock |
| P-903064416 | 95 | Main component | 250 mg |
| P-1264048410 | 95 | Main component | in stock |
| P-1264051362 | 95 | Main component | in stock |
| P-893585860 | 90 | Main component | 250 mg |
| P-851863207 | N/A | Main component | by synthesis |
| P-611152886 | 95 | Main component | by synthesis |
| P-34883290 | 90 | Main component | in stock |
| P-861285441 | 95 | Main component | in stock |
| P-500417008 | 99 | Main component | in stock |
| P-500417010 | 99 | Main component | in stock |
| P-870654564 | 95 | Main component | in stock |
| P-890850420 | 95 | Main component | in stock |
| P-596577168 | 95 | Main component | 100 mg |
| P-596569243 | 95 | Main component | 10 mg |
| P-596570454 | 95 | Main component | 250 mg |
| P-888624991 | 95 | Main component | 100 mg |
| P-856045080 | 90 | Main component | 5 g |
| P-31175153 | 90 | Main component | 5 g |
| P-895471225 | 95 | Main component | by synthesis |
| P-885519962 | 95 | Main component | by synthesis |
| P-19528771 | 90 | Main component | in stock |
| P-33162050 | 90 | Main component | 1000 mg |
| P-906775237 | 99 | Main component | by synthesis |
| P-3223435 | 90 | Main component | 2.892 g |
| P-988916 | 90 | Main component | 2.892 g |
| P-575317967 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 303.701 |
| logP | -0.5968 |
| H-bond acceptors | 9 |
| H-bond donors | 4 |
| Rotatable bonds | 2 |
| PSA | 139.54 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 69.6388 |
| Atoms | 34 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 14 |
| Heteroatoms | 10 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
