Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4313892271-0
Structure
Show compound
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 | 34 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.
-
MCULE-8974171171-0
- Component type: Main
-
MCULE-1637156368-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4313892271-0.sdf |
| SMILES | MCULE-4313892271-0.smiles |
| Standard InChI | MCULE-4313892271-0.inchi |
| InChIKey | MCULE-4313892271-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-872802610 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-889946831 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-869196821 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851562905 | AmBeed | On request | N/A | As is | by synthesis |
| P-596497682 | Asinex | General bb catalog | 90 | As is | unavailable |
| P-864220226 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-590811430 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-454685456 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-15151579 | ChemDiv | Discovery Chemistry Library | 90 | As is | in stock |
| P-436443488 | Chemical Block | Building Blocks | 90 | As is | 23.314 g |
| P-330498 | Chemical Block | Screening Library | 90 | As is | 983 mg |
| P-861505664 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-34726701 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-580788026 | Crea-Chim | Building Blocks | 95 | As is | by resynthesis (? - ? days) |
| P-861974389 | FluoroChem | General BB | 95 | As is | in stock |
| P-890217655 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-590340087 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 1000 mg |
| P-563652322 | Key Organics | Building Blocks | 95 | As is | 250 mg |
| P-854795539 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-24063647 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-491225997 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-611582179 | Toronto Research | In stock | 90 | As is | in stock |
| P-1889818 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 55 mg |
| P-867461455 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
| P-615730977 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-892494858 | Asinex | General screening catalog | 90 | As a main component | 1000 mg |
| P-852402656 | Matrix Scientific | All | N/A | As a main component | in stock |
| P-895526793 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
| P-873214610 | TimTec | Building Block Collection | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 184.237 |
| logP | 2.83 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 38.91 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 56.3974 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 12 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
