Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4458100829
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 | 6 USD | 98 | 20 working days | Get Quote |
| 5 mg | 6 USD | 98 | 20 working days | Get Quote |
| 10 mg | 6 USD | 98 | 20 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-4458100829.sdf |
| SMILES | MCULE-4458100829.smiles |
| Standard InChI | MCULE-4458100829.inchi |
| InChIKey | MCULE-4458100829.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867584995 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875742171 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-890254731 | ACS Scientific | Synthesis catalog | 97 | As is | by synthesis |
| P-869193199 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505353619 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-893481635 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 5.81 kg |
| P-436453281 | Alinda | Building Blocks | 95 | As is | 25 g |
| P-19948366 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-606952809 | AmBeed | In stock | N/A | As is | in stock |
| P-489151323 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596953424 | Angene | Building Blocks in stock | 98 | As is | 10 g |
| P-494350244 | Apollo Scientific | In Stock | 95 | As is | 30 g |
| P-864116014 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580733287 | BLD pharm | In-stock building blocks | 98 | As is | 1.1115 kg |
| P-893222940 | Biosynth | In Stock | 95 | As is | in stock |
| P-454640803 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-851246263 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868582612 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580758397 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-580406081 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-901369369 | FluoroChem | In Stock BB | N/A | As is | 40 g |
| P-870655622 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-505492593 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-488545058 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-13263018 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-454412669 | Key Organics | Building Blocks | 95 | As is | 8.878 g |
| P-18813509 | Key Organics | Screening Compounds and Fragments | 95 | As is | 8.878 g |
| P-579613358 | LabSeeker, Inc | Stock Collection | 98 | As is | in stock |
| P-580460081 | Manchester Organics | Compounds on demand | 98 | As is | by synthesis |
| P-852407123 | Matrix Scientific | All | N/A | As is | in stock |
| P-428002293 | Maybridge | Screening Collection | 90 | As is | 48.7 kg |
| P-888867215 | PharmaBlock | In stock | N/A | As is | in stock |
| P-454365304 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-14038757 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-500370218 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-23967780 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885516919 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-498669931 | Synthonix | In-stock Building Blocks | 96 | As is | 247 g |
| P-873219950 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-23194181 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611385481 | Toronto Research | In stock | 90 | As is | in stock |
| P-1577240 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 215 mg |
| P-901165353 | XtalPi Inc. | Express Building Blocks | 98 | As is | in stock |
| P-615452393 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 240.053 |
| logP | 2.6286 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 53.09 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 52.958 |
| Atoms | 19 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 6 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
