Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-3955405122
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 | 6 USD | 98 | 22 working days | Get Quote |
| 5 mg | 6 USD | 98 | 22 working days | Get Quote |
| 10 mg | 6 USD | 98 | 22 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.
-
MCULE-6770793725
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3955405122.sdf |
| SMILES | MCULE-3955405122.smiles |
| Standard InChI | MCULE-3955405122.inchi |
| InChIKey | MCULE-3955405122.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867661692 | 98 | As is | in stock |
| P-875830678 | N/A | As is | in stock |
| P-891645794 | N/A | As is | in stock |
| P-865926600 | 98 | As is | 2.5 kg |
| P-864141925 | 95 | As is | in stock |
| P-893229281 | 95 | As is | in stock |
| P-611453279 | 90 | As is | in stock |
| P-875725021 | N/A | As a main component | in stock |
| P-606903340 | N/A | As a main component | in stock |
| P-596947017 | 98 | As a main component | 1000 g |
| P-864142026 | 95 | As a main component | in stock |
| P-893218549 | 95 | As a main component | in stock |
| P-893218557 | 95 | As a main component | in stock |
| P-500376515 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 517.557 |
| logP | 0.3552 |
| H-bond acceptors | 12 |
| H-bond donors | 3 |
| Rotatable bonds | 9 |
| PSA | 181.73 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 138.8042 |
| Atoms | 63 |
| Rings | 4 |
| Heavy atoms | 36 |
| Hydrogen atoms | 27 |
| Heteroatoms | 13 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
