Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3664126855
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 | 13 USD | 98 | 11 working days | Get Quote |
| 5 mg | 13 USD | 98 | 11 working days | Get Quote |
| 10 mg | 13 USD | 98 | 11 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-1336748609
- Component type: Counter Ion
-
1
MCULE-5522245554
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-3664126855.sdf |
| SMILES | MCULE-3664126855.smiles |
| Standard InChI | MCULE-3664126855.inchi |
| InChIKey | MCULE-3664126855.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867546405 | 98 | As is | in stock |
| P-875703043 | N/A | As is | in stock |
| P-588246077 | 98 | As is | in stock |
| P-903027956 | 98 | As is | 5 kg |
| P-596986551 | 98 | As is | 5 kg |
| P-904971980 | 95 | As is | by synthesis |
| P-868627371 | 98 | As is | in stock |
| P-855953027 | 97 | As is | 500 g |
| P-896628776 | 95 | As is | by synthesis |
| P-854718075 | 95 | As is | in stock |
| P-584624172 | 95 | As is | in stock |
| P-619673661 | 98 | As is | in stock |
| P-885543346 | 95 | As is | by synthesis |
| P-594275489 | 95 | As is | by synthesis |
| P-892298344 | 95 | As is | 1.001 g |
| P-888658094 | 95 | As is | 1.001 g |
| P-906793652 | 98 | As is | by synthesis |
| P-855005187 | 90 | As is | in stock |
| P-615410953 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 232.277 |
| logP | 0.5528 |
| H-bond acceptors | 6 |
| H-bond donors | 4 |
| Rotatable bonds | 5 |
| PSA | 98.66 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 67.161 |
| Atoms | 36 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 20 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
