Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4074896000
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 | 31 USD | 98 | 19 working days | Get Quote |
| 5 mg | 31 USD | 98 | 19 working days | Get Quote |
| 10 mg | 31 USD | 98 | 19 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-4074896000.sdf |
| SMILES | MCULE-4074896000.smiles |
| Standard InChI | MCULE-4074896000.inchi |
| InChIKey | MCULE-4074896000.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-588245196 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-878259672 | AmBeed | In stock | N/A | As is | in stock |
| P-489242437 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-889561337 | AstaTech | In Stock BBs | 98 | As is | in stock |
| P-878233443 | BLD pharm | In-stock building blocks | 98 | As is | 43.5 g |
| P-868603325 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580304680 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-861981984 | FluoroChem | General BB | N/A | As is | in stock |
| P-870658166 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-873242051 | Key Organics | Building Blocks | 97 | As is | 50 mg |
| P-31187365 | LaboTest | Screening Collection | 90 | As is | 30 mg |
| P-860794605 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852454542 | Matrix Scientific | All | N/A | As is | in stock |
| P-854691634 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
| P-888172434 | Molnova | On demand | 98 | As is | by synthesis |
| P-869178406 | TargetMol | Natural Products | 95 | As is | 1.083 g |
| P-502364438 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611515046 | Toronto Research | In stock | 90 | As is | in stock |
| P-611383126 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 162.141 |
| logP | 1.4986 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 50.44 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 44.507 |
| Atoms | 18 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 6 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
