Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3990756993
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 | 35 USD | 90 | 19 working days | Get Quote |
| 5 mg | 51 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-3990756993.sdf |
| SMILES | MCULE-3990756993.smiles |
| Standard InChI | MCULE-3990756993.inchi |
| InChIKey | MCULE-3990756993.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867416027 | A2B Chem | Predominantly Building Block on demand | 90 | As is | by synthesis |
| P-889962532 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-851710473 | AmBeed | On request | N/A | As is | by synthesis |
| P-590918745 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-619852448 | ChemDiv | Discovery Chemistry Library | 90 | As is | 10 mg |
| P-34571147 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-861298371 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-580768307 | Crea-Chim | Prepacked BB compounds with prompt delivery | 90 | As is | in stock |
| P-580779115 | Crea-Chim | Building Blocks | 90 | As is | by resynthesis (? - ? days) |
| P-861945408 | FluoroChem | General BB | N/A | As is | in stock |
| P-890207379 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-579491801 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 5.73 g |
| P-454358831 | Key Organics | Screening Compounds and Fragments | 90 | As is | 100 mg |
| P-580483423 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-895431309 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-23882057 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-491131800 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-33467439 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502344660 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-596528357 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.02 g |
| P-1233197 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.02 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 218.212 |
| logP | 1.7397 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 94.04 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 55.5966 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 10 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
