Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8924651059
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 | 33 USD | 90 | 23 working days | Get Quote |
| 5 mg | 52 USD | 90 | 19 working days | Get Quote |
| 10 mg | 65 USD | 90 | 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-8924651059.sdf |
| SMILES | MCULE-8924651059.smiles |
| Standard InChI | MCULE-8924651059.inchi |
| InChIKey | MCULE-8924651059.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867293209 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-612934669 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851817080 | AmBeed | On request | N/A | As is | by synthesis |
| P-591110826 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-580283668 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
| P-580089108 | Eximed | Building Block Catalog | 95 | As is | 460 mg |
| P-864497301 | Eximed | In-stock screening compounds | 90 | As is | 460 mg |
| P-428630630 | Eximed | In-stock screening compounds | 90 | As is | 110 mg |
| P-580041912 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-580005833 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-488550147 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-13734476 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-596587987 | Key Organics | Building Blocks | 90 | As is | 500 mg |
| P-852393394 | Matrix Scientific | All | N/A | As is | in stock |
| P-864015240 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-34031153 | Otava | In-House Stock Library | 90 | As is | 460 mg |
| P-620224895 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 460 mg |
| P-454368536 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-445321032 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-856066349 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 460 mg |
| P-520017614 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-502384480 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-677371743 | Ultimate 3P | Express 1 | 90 | As is | unavailable |
| P-2092344 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 110 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 235.282 |
| logP | 1.4594 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 66.32 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 67.9918 |
| Atoms | 34 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 17 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
