Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2550055946-1
Structure
Show compound
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.
| Name | File |
|---|---|
| SDF | MCULE-2550055946-1.sdf |
| SMILES | MCULE-2550055946-1.smiles |
| Standard InChI | MCULE-2550055946-1.inchi |
| InChIKey | MCULE-2550055946-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867587509 | 98 | As is | in stock |
| P-875746280 | N/A | As is | in stock |
| P-903076985 | 98 | As is | 100 g |
| P-606927519 | N/A | As is | in stock |
| P-489200370 | 97 | As is | in stock |
| P-596931658 | 98 | As is | 500 g |
| P-864102851 | 98 | As is | in stock |
| P-590854938 | 91 | As is | by synthesis |
| P-591118501 | 95 | As is | by synthesis |
| P-868593260 | 95 | As is | in stock |
| P-580429290 | 95 | As is | by resynthesis (? - ? days) |
| P-905347118 | 98 | As is | 150 g |
| P-862033142 | 98 | As is | 4.60162 kg |
| P-870653285 | N/A | As is | in stock |
| P-505525502 | 95 | As is | in stock |
| P-31267083 | 90 | As is | unavailable |
| P-856042410 | 90 | As is | unavailable |
| P-428002023 | 95 | As is | 3.5 kg |
| P-895265079 | 95 | As is | by synthesis |
| P-500410016 | 98 | As is | by synthesis |
| P-611382533 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 145.161 |
| logP | 1.4688 |
| H-bond acceptors | 3 |
| H-bond donors | 3 |
| Rotatable bonds | 0 |
| PSA | 59.73 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 48.1581 |
| Atoms | 18 |
| Rings | 2 |
| Heavy atoms | 11 |
| Hydrogen atoms | 7 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
