Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7604920434
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 | 94 USD | 95 | 14 working days | Get Quote |
| 5 mg | 94 USD | 95 | 14 working days | Get Quote |
| 10 mg | 100 USD | 97 | 15 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-1774262154
- Component type: Main
-
1
MCULE-3867000095
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7604920434.sdf |
| SMILES | MCULE-7604920434.smiles |
| Standard InChI | MCULE-7604920434.inchi |
| InChIKey | MCULE-7604920434.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892943800 | N/A | As is | by synthesis |
| P-613852895 | 95 | Main component | in stock |
| P-893554610 | 90 | Main component | 11.601 g |
| P-867719584 | N/A | Main component | in stock |
| P-889592910 | 95 | Main component | in stock |
| P-890245746 | 97 | Main component | 38 mg |
| P-901450839 | 95 | Main component | by synthesis |
| P-851335907 | 95 | Main component | by synthesis |
| P-887188175 | 95 | Main component | by synthesis |
| P-870661503 | N/A | Main component | in stock |
| P-873246668 | 97 | Main component | 50 mg |
| P-905146466 | 95 | Main component | by synthesis |
| P-863725467 | 95 | Main component | in stock |
| P-896070543 | 95 | Main component | in stock |
| P-889884363 | 95 | Main component | by synthesis |
| P-906778857 | 99 | Main component | by synthesis |
| P-855294276 | 90 | Main component | in stock |
| P-872827657 | 97 | Main component as a main component | in stock |
| P-875754220 | N/A | Main component as a main component | in stock |
| P-892785121 | 95 | Main component as a main component | in stock |
| P-903088228 | 97 | Main component as a main component | 100 mg |
| P-878259693 | N/A | Main component as a main component | in stock |
| P-888815520 | 97 | Main component as a main component | 50 mg |
| P-872726065 | 98 | Main component as a main component | in stock |
| P-889783324 | 95 | Main component as a main component | in stock |
| P-890237907 | 98 | Main component as a main component | 1.3 g |
| P-580450593 | 98 | Main component as a main component | in stock |
| P-893626857 | 95 | Main component as a main component | by synthesis |
| P-899781952 | 97 | Main component as a main component | 50 mg |
| P-895188453 | 95 | Main component as a main component | by synthesis |
| P-871065435 | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 561.581 |
| logP | 1.6084 |
| H-bond acceptors | 12 |
| H-bond donors | 5 |
| Rotatable bonds | 8 |
| PSA | 205.25 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 145.0764 |
| Atoms | 67 |
| Rings | 4 |
| Heavy atoms | 39 |
| Hydrogen atoms | 28 |
| Heteroatoms | 13 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
