Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7887079424
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 | 28 USD | 92 | 18 working days | Get Quote |
| 5 mg | 43 USD | 92 | 18 working days | Get Quote |
| 10 mg | 54 USD | 92 | 18 working days | Get Quote |
- 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-9654018123
- Component type: Main
-
1
MCULE-8295936189
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7887079424.sdf |
| SMILES | MCULE-7887079424.smiles |
| Standard InChI | MCULE-7887079424.inchi |
| InChIKey | MCULE-7887079424.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-13646151 | 92 | As is | 300 mg |
| P-852178177 | 90 | Main component | by synthesis |
| P-1268874474 | 90 | Main component | by synthesis |
| P-894629680 | 95 | Main component | by resynthesis (? - ? days) |
| P-851904788 | N/A | Main component | by synthesis |
| P-869421205 | 95 | Main component | by synthesis |
| P-591144024 | 95 | Main component | by synthesis |
| P-4232602 | 90 | Main component | 9 mg |
| P-1274900560 | 95 | Main component | by synthesis |
| P-580433876 | 95 | Main component | by resynthesis (? - ? days) |
| P-13908027 | 92 | Main component | 300 mg |
| P-864056518 | 95 | Main component | by synthesis |
| P-605209009 | 90 | Main component | in stock |
| P-873213344 | 90 | Main component | in stock |
| P-903662066 | 94 | Main component | by resynthesis (? - ? days) |
| P-855350341 | 90 | Main component | in stock |
| P-578055007 | 90 | Main component | 113 mg |
| P-1271468386 | 95 | Main component | by synthesis |
| P-615711289 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-851873618 | N/A | Main component as a main component | by synthesis |
| P-869403546 | 95 | Main component as a main component | by synthesis |
| P-591142351 | 97 | Main component as a main component | by synthesis |
| P-619927453 | 90 | Main component as a main component | by synthesis |
| P-852409062 | N/A | Main component as a main component | by synthesis |
| P-864001395 | 95 | Main component as a main component | by synthesis |
| P-896187028 | 90 | Main component as a main component | 14 mg |
| P-1271479748 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 338.399 |
| logP | 2.7108 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 81.76 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 101.1396 |
| Atoms | 47 |
| Rings | 4 |
| Heavy atoms | 25 |
| Hydrogen atoms | 22 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
