Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3427080049
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 | 21 USD | 98 | 14 working days | Get Quote |
| 5 mg | 21 USD | 98 | 14 working days | Get Quote |
| 10 mg | 21 USD | 98 | 14 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-4486517373
- Component type: Main
-
2
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3427080049.sdf |
| SMILES | MCULE-3427080049.smiles |
| Standard InChI | MCULE-3427080049.inchi |
| InChIKey | MCULE-3427080049.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903202898 | 98 | As is | 25 g |
| P-903376447 | 96 | As is | 1000 mg |
| P-893618468 | 90 | As is | 77.448 g |
| P-895913018 | 95 | As is | by resynthesis (? - ? days) |
| P-617432534 | 95 | As is | 250 mg |
| P-871219758 | N/A | As is | by resynthesis (? - ? days) |
| P-871215539 | 95 | As is | by synthesis |
| P-868645784 | 98 | As is | in stock |
| P-905349452 | 95 | As is | 1000 mg |
| P-862051746 | 95 | As is | 37.062 g |
| P-856077126 | 97 | As is | 25 g |
| P-852545603 | N/A | As is | in stock |
| P-871068366 | 95 | As is | in stock |
| P-902967138 | 95 | Main component | 8.079 g |
| P-1263265117 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 366.172 |
| logP | -0.5209 |
| H-bond acceptors | 10 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 166.55 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 65.919 |
| Atoms | 36 |
| Rings | 2 |
| Heavy atoms | 23 |
| Hydrogen atoms | 13 |
| Heteroatoms | 13 |
| N/O atoms | 10 |
| Inorganic atoms | 2 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
