Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1669268462
Compound
Show structures
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 | 72 USD | N/A | 9 working days | Get Quote |
| 5 mg | 72 USD | N/A | 9 working days | Get Quote |
| 10 mg | 72 USD | N/A | 9 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-3168053689
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1669268462.sdf |
| SMILES | MCULE-1669268462.smiles |
| Standard InChI | MCULE-1669268462.inchi |
| InChIKey | MCULE-1669268462.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1266828992 | N/A | As is | by synthesis |
| P-874624536 | N/A | As is | by resynthesis (? - ? days) |
| P-505401284 | 95 | As is | by resynthesis (? - ? days) |
| P-893584157 | 90 | As is | 1.533 g |
| P-1270284092 | 98 | As is | in stock |
| P-851931240 | N/A | As is | in stock |
| P-888829481 | 98 | As is | 100 mg |
| P-889779647 | 95 | As is | in stock |
| P-868079110 | 95 | As is | in stock |
| P-524166456 | 95 | As is | 1 mg |
| P-873251006 | 97 | As is | 5 mg |
| P-892259136 | 95 | Main component | unavailable |
| P-892341541 | 95 | Main component | unavailable |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 565.490 |
| logP | 6.1263 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 86.38 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 171.6374 |
| Atoms | 69 |
| Rings | 6 |
| Heavy atoms | 39 |
| Hydrogen atoms | 30 |
| Heteroatoms | 10 |
| N/O atoms | 8 |
| 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 | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
