Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4087639695
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 | 36 USD | 95 | 26 working days | Get Quote |
| 5 mg | 36 USD | 95 | 26 working days | Get Quote |
| 10 mg | 41 USD | 95 | 26 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-4087639695.sdf |
| SMILES | MCULE-4087639695.smiles |
| Standard InChI | MCULE-4087639695.inchi |
| InChIKey | MCULE-4087639695.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867633929 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
| P-875797964 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590365138 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851821785 | AmBeed | On request | N/A | As is | by synthesis |
| P-901347131 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-591119576 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-454756255 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-454691070 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-619841002 | ChemDiv | Discovery Chemistry Library | 90 | As is | 57 mg |
| P-436445769 | Chemical Intelligence Co Limited | Building Blocks | 95 | As is | 10 g |
| P-19983847 | Chemical Intelligence Co Limited | Stock Screening Compounds | 90 | As is | in stock |
| P-861538530 | Combi-Blocks | Building Block on demand | N/A | As is | by synthesis |
| P-34535489 | Crea-Chim | HTS compounds | 90 | As is | in stock |
| P-580775996 | Crea-Chim | Building Blocks | 90 | As is | by resynthesis (? - ? days) |
| P-580765422 | Crea-Chim | Prepacked BB compounds with prompt delivery | 90 | As is | in stock |
| P-502528143 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-596589164 | Key Organics | Building Blocks | 90 | As is | 1000 mg |
| P-580485567 | Manchester Organics | Compounds on demand | 95 | As is | by synthesis |
| P-852395960 | Matrix Scientific | All | N/A | As is | in stock |
| P-35183438 | Maybridge | Screening Collection | 90 | As is | 11.249 kg |
| P-854839630 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-491128598 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-23880947 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-12964359 | Specs | Screening Compounds | 90 | As is | 24 mg |
| P-33465523 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502342253 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-888475623 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-855301629 | Toronto Research | In stock | 90 | As is | in stock |
| P-1141654 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.523 g |
| P-3230641 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.523 g |
| P-893859564 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 317.190 |
| logP | 5.1114 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 80.57 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 77.9801 |
| Atoms | 29 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 10 |
| Heteroatoms | 7 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
