Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8756402825-0
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 | 172 USD | 95 | 35 working days | Get Quote |
| 5 mg | 172 USD | 95 | 35 working days | Get Quote |
| 10 mg | 172 USD | 95 | 35 working days | Get Quote |
- 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-9562522468-0
- Component type: Main
-
MCULE-5340753609-0
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-8756402825-0.sdf |
| SMILES | MCULE-8756402825-0.smiles |
| Standard InChI | MCULE-8756402825-0.inchi |
| InChIKey | MCULE-8756402825-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1270492857 | 95 | As is | by synthesis |
| P-1268940138 | 95 | As is | by synthesis |
| P-904523956 | 95 | As is | by resynthesis (? - ? days) |
| P-893404230 | 90 | As is | by synthesis |
| P-851838749 | N/A | As is | by synthesis |
| P-864314244 | 95 | As is | by synthesis |
| P-611150585 | 95 | As is | by synthesis |
| P-613333734 | 95 | As is | by synthesis |
| P-895677557 | 95 | As is | by synthesis |
| P-855285506 | 90 | As is | in stock |
| P-1271486266 | 95 | As is | by synthesis |
| P-892959675 | 95 | As a main component | by synthesis |
| P-1268959113 | 95 | As a main component | by synthesis |
| P-874605316 | 95 | As a main component | by resynthesis (? - ? days) |
| P-899950983 | N/A | As a main component | by synthesis |
| P-864289954 | 95 | As a main component | by synthesis |
| P-901905700 | 98 | As a main component | by synthesis |
| P-886856560 | 95 | As a main component | by synthesis |
| P-579456150 | 97 | As a main component | 250 mg |
| P-563632048 | 95 | As a main component | 250 mg |
| P-895432860 | 95 | As a main component | by synthesis |
| P-906870456 | 95 | As a main component | by synthesis |
| P-893682904 | 95 | As a main component | by synthesis |
| P-1275087515 | 97 | As a component | 5 g |
| P-1275085788 | 97 | As a component | 250 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 141.168 |
| logP | 0.7631 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 52.32 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 37.1674 |
| Atoms | 21 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 11 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
