Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4654740207
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 | 8 USD | 97 | 14 working days | Get Quote |
| 5 mg | 8 USD | 97 | 14 working days | Get Quote |
| 10 mg | 8 USD | 97 | 14 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-4654740207.sdf |
| SMILES | MCULE-4654740207.smiles |
| Standard InChI | MCULE-4654740207.inchi |
| InChIKey | MCULE-4654740207.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867586470 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875744799 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590391274 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-903075979 | Aaron Chemicals LLC | Predominantly Building Block | 97 | As is | 60 g |
| P-610975698 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 132.35 g |
| P-893335331 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-606947947 | AmBeed | In stock | N/A | As is | in stock |
| P-489117490 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596954393 | Angene | Building Blocks in stock | 97 | As is | 60 g |
| P-494320034 | Apollo Scientific | In Stock | 95 | As is | 53.32 g |
| P-864161817 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580732582 | BLD pharm | In-stock building blocks | 97 | As is | 12.5 g |
| P-868595728 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-861920860 | FluoroChem | General BB | N/A | As is | in stock |
| P-870647492 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-505532983 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-524182680 | Key Organics | Building Blocks | 98 | As is | 1000 mg |
| P-563459226 | Key Organics | Building Blocks | 97 | As is | 1000 mg |
| P-454330034 | Key Organics | Screening Compounds and Fragments | 90 | As is | 120 mg |
| P-579630543 | LabSeeker, Inc | On demand Catalog | 98 | As is | by resynthesis (? - ? days) |
| P-856014278 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-852377717 | Matrix Scientific | All | N/A | As is | in stock |
| P-35289227 | Maybridge | Screening Collection | 90 | As is | 777 g |
| P-500391851 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
| P-885549337 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-892263554 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892344865 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| P-502326663 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22468804 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 145 mg |
| P-611364512 | Toronto Research | In stock | 90 | As is | in stock |
| P-893660842 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-893988161 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 201.170 |
| logP | 1.6195 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 63.32 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 45.4172 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 9 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
