Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5842763753
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 | 13 USD | 98 | 11 working days | Get Quote |
| 5 mg | 13 USD | 98 | 11 working days | Get Quote |
| 10 mg | 13 USD | 98 | 11 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-5842763753.sdf |
| SMILES | MCULE-5842763753.smiles |
| Standard InChI | MCULE-5842763753.inchi |
| InChIKey | MCULE-5842763753.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867575568 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-890144545 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590399550 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-851837049 | AmBeed | On request | N/A | As is | by synthesis |
| P-888814997 | Angene | Building Blocks in stock | 99 | As is | 50 g |
| P-901335449 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-591013011 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-893228027 | Biosynth | In Stock | 95 | As is | in stock |
| P-868610208 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580304669 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-855999859 | Key Organics | Screening Compounds and Fragments | 95 | As is | 100 mg |
| P-31132164 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-428010434 | Maybridge | Screening Collection | 90 | As is | 8.895 kg |
| P-854873184 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-500383958 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-502373651 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22531784 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1000 mg |
| P-611441121 | Toronto Research | In stock | 90 | As is | in stock |
| P-588726846 | VITAS M CHEMICAL LIMITED | Virtual synthesis library | N/A | As is | by synthesis |
| P-894001518 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 166.173 |
| logP | 1.6905 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 57.53 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 45.4895 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 10 |
| 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 |
