Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4653751513
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 | 11 USD | 95 | 14 working days | Get Quote |
| 5 mg | 11 USD | 95 | 14 working days | Get Quote |
| 10 mg | 11 USD | 95 | 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.
-
MCULE-1456171946
- Component type: Main
-
MCULE-2825305406
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4653751513.sdf |
| SMILES | MCULE-4653751513.smiles |
| Standard InChI | MCULE-4653751513.inchi |
| InChIKey | MCULE-4653751513.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875846372 | N/A | As is | in stock |
| P-869351571 | 95 | As is | in stock |
| P-903220545 | 98 | As is | 15 g |
| P-893528313 | 90 | As is | 82.479 g |
| P-851941272 | N/A | As is | in stock |
| P-865928514 | 98 | As is | 15 g |
| P-895938649 | 95 | As is | by resynthesis (? - ? days) |
| P-864201232 | 95 | As is | in stock |
| P-611060079 | 95 | As is | by synthesis |
| P-901470326 | 95 | As is | by synthesis |
| P-4673963 | 90 | As is | 5 mg |
| P-889030164 | 95 | As is | in stock |
| P-889358979 | 97 | As is | 16.739 g |
| P-502540803 | 95 | As is | by synthesis |
| P-492228907 | 95 | As is | in stock |
| P-855914461 | 95 | As is | 250 mg |
| P-855398625 | 95 | As is | in stock |
| P-12414704 | 90 | As is | 1000 mg |
| P-896154841 | 90 | As is | unavailable |
| P-502375088 | 90 | As is | in stock |
| P-888394757 | 94 | As is | by resynthesis (? - ? days) |
| P-611594212 | 90 | As is | in stock |
| P-667018537 | 95 | As is | in stock |
| P-892447168 | 90 | As a main component | 7 mg |
| P-34046921 | 90 | As a main component | 100 mg |
| P-617792707 | 90 | As a main component | 14 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 201.264 |
| logP | 3.5815 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 25.17 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 62.4327 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 15 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
