Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-2177392045
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 | 34 USD | 90 | 17 working days | Get Quote |
| 5 mg | 39 USD | 95 | 11 working days | Get Quote |
| 10 mg | 62 USD | 95 | 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.
| Name | File |
|---|---|
| SDF | MCULE-2177392045.sdf |
| SMILES | MCULE-2177392045.smiles |
| Standard InChI | MCULE-2177392045.inchi |
| InChIKey | MCULE-2177392045.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867559229 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
| P-888730949 | AmBeed | In stock | N/A | As is | in stock |
| P-619201150 | Angene | Building Blocks in stock | 98 | As is | 1000 mg |
| P-13904539 | InterBioScreen | Natural Compounds | 92 | As is | 300 mg |
| P-13481081 | Pharmeks LLC | Natural & unique compounds | 92 | As is | 300 mg |
| P-869176169 | TargetMol | Natural Products | 95 | As is | 300 mg |
| P-594194938 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 300 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 622.570 |
| logP | -0.7867 |
| H-bond acceptors | 15 |
| H-bond donors | 7 |
| Rotatable bonds | 8 |
| PSA | 227.2 |
| RO5 violations | 3 |
| RO3 violations | 5 |
| Refractivity | 148.2938 |
| Atoms | 78 |
| Rings | 5 |
| Heavy atoms | 44 |
| Hydrogen atoms | 34 |
| Heteroatoms | 15 |
| N/O atoms | 15 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 10 |
| R/S chiral centers | 10 |
| 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 |
