Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4944940389
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 | 5 USD | 95 | 10 working days | Get Quote |
| 5 mg | 5 USD | 95 | 10 working days | Get Quote |
| 10 mg | 5 USD | 95 | 10 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-4944940389.sdf |
| SMILES | MCULE-4944940389.smiles |
| Standard InChI | MCULE-4944940389.inchi |
| InChIKey | MCULE-4944940389.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867586633 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875745447 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869188536 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505398093 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-580198627 | Aldlab Chemicals | Building Block Stock | 95 | As is | 10.05 g |
| P-34892389 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-436459083 | Alinda | Building Blocks | 95 | As is | in stock |
| P-606858575 | AmBeed | In stock | N/A | As is | in stock |
| P-489179607 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596954478 | Angene | Building Blocks in stock | 98 | As is | 100 g |
| P-494328881 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864109765 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-481171449 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 70 g |
| P-580724726 | BLD pharm | In-stock building blocks | 98 | As is | 647.5 g |
| P-893229332 | Biosynth | In Stock | 95 | As is | in stock |
| P-454710541 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-874588194 | ChemDiv | Discovery Chemistry Library | 90 | As is | unavailable |
| P-851245405 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868637770 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-580300144 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-889111552 | FluoroChem | In Stock BB | 98 | As is | 4 g |
| P-505545314 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-492237479 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-504609009 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-454322418 | Key Organics | Screening Compounds and Fragments | 90 | As is | unavailable |
| P-615648499 | LabNetwork | In stock | 95 | As is | in stock |
| P-579618672 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-31256482 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-580511887 | Manchester Organics | Stock compounds | 98 | As is | 750 g |
| P-852430973 | Matrix Scientific | All | N/A | As is | in stock |
| P-519757072 | Maybridge | Maybridge Building Blocks | 97 | As is | 56.6 g |
| P-35212267 | Maybridge | Screening Collection | 97 | As is | 2.254 kg |
| P-854736363 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-888859414 | PharmaBlock | In stock | N/A | As is | in stock |
| P-500398811 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
| P-424838268 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885517392 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-596767992 | Synthonix | In-stock Building Blocks | 97 | As is | 3.9114 kg |
| P-502349530 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-23109832 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611456065 | Toronto Research | In stock | 90 | As is | in stock |
| P-1434705 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.74 g |
| P-3215751 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.74 g |
| P-666972931 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 185.246 |
| logP | 2.3966 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 80.56 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 49.7759 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 11 |
| Heteroatoms | 4 |
| 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 |
