Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4475780636-0
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-1795555954-0
- Component type: Main
-
2
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4475780636-0.sdf |
| SMILES | MCULE-4475780636-0.smiles |
| Standard InChI | MCULE-4475780636-0.inchi |
| InChIKey | MCULE-4475780636-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867463645 | N/A | As is | by synthesis |
| P-615711892 | 95 | As is | in stock |
| P-851630768 | N/A | As is | by synthesis |
| P-590853741 | 95 | As is | by synthesis |
| P-852421012 | N/A | As is | in stock |
| P-855307572 | 90 | As is | in stock |
| P-867413398 | N/A | Main component | by synthesis |
| P-851741098 | N/A | Main component | by synthesis |
| P-591060640 | 97 | Main component | by synthesis |
| P-577176363 | 90 | Main component | by synthesis |
| P-584581395 | 90 | Main component | 5 mg |
| P-436443920 | 90 | Main component | 9.45 g |
| P-340136 | 90 | Main component | 519 mg |
| P-34729436 | 90 | Main component | by synthesis |
| P-580291740 | N/A | Main component | by resynthesis (? - ? days) |
| P-502478625 | 95 | Main component | by synthesis |
| P-502835857 | 90 | Main component | in stock |
| P-488547564 | 90 | Main component | in stock |
| P-13560488 | 95 | Main component | 300 mg |
| P-596595250 | 90 | Main component | 5 g |
| P-852388110 | N/A | Main component | in stock |
| P-895430319 | 95 | Main component | by synthesis |
| P-454366952 | 92 | Main component | in stock |
| P-13883131 | 92 | Main component | 300 mg |
| P-885529673 | 95 | Main component | by synthesis |
| P-519875204 | 90 | Main component | in stock |
| P-33451959 | 90 | Main component | in stock |
| P-502337967 | 90 | Main component | in stock |
| P-35124098 | 90 | Main component | 110 mg |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 283.278 |
| logP | 4.2653 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 15.27 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 87.8347 |
| Atoms | 45 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 28 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
