Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4674960017
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 | 9 USD | 98 | 9 working days | Get Quote |
| 5 mg | 9 USD | 98 | 9 working days | Get Quote |
| 10 mg | 9 USD | 98 | 9 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-4674960017.sdf |
| SMILES | MCULE-4674960017.smiles |
| Standard InChI | MCULE-4674960017.inchi |
| InChIKey | MCULE-4674960017.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-494305937 | Apollo Scientific | In Stock | 95 | As is | in stock |
| P-580697412 | BLD pharm | In-stock building blocks | 98 | As is | 185 g |
| P-871218473 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
| P-619932817 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-578049430 | Chemfaces | Natural Compounds | 98 | As is | in stock |
| P-868563638 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-868577555 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-854692173 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
| P-584616665 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-619672521 | Molnova | Stock | 98 | As is | in stock |
| P-617402683 | Selleckchem | Product Catalog | N/A | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 226.233 |
| logP | -0.0384 |
| H-bond acceptors | 7 |
| H-bond donors | 4 |
| Rotatable bonds | 7 |
| PSA | 121.1 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 55.0696 |
| Atoms | 30 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 14 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
