Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3628509870
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 | 52 USD | 95 | 14 working days | Get Quote |
| 5 mg | 52 USD | 95 | 14 working days | Get Quote |
| 10 mg | 80 USD | 98 | 24 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-3628509870.sdf |
| SMILES | MCULE-3628509870.smiles |
| Standard InChI | MCULE-3628509870.inchi |
| InChIKey | MCULE-3628509870.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892898107 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-890195352 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-903462474 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 10 mg |
| P-893612038 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 9.54 g |
| P-891660840 | AmBeed | On request | N/A | As is | by synthesis |
| P-895116093 | Angene | Building Blocks in stock | 98 | As is | 500 mg |
| P-904965614 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-905581129 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-34550611 | Crea-Chim | HTS compounds | 90 | As is | in stock |
| P-895187397 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-22832956 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-906859373 | Titan Scientific | Predominantly Building Block on demand | 98 | As is | by synthesis |
| P-893784715 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 339.312 |
| logP | 3.0726 |
| H-bond acceptors | 5 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 47.48 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 84.689 |
| Atoms | 40 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 16 |
| Heteroatoms | 8 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
