Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4893643717
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 | 28 USD | 95 | 7 working days | Get Quote |
| 5 mg | 29 USD | N/A | 9 working days | Get Quote |
| 10 mg | 29 USD | N/A | 9 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-4893643717.sdf |
| SMILES | MCULE-4893643717.smiles |
| Standard InChI | MCULE-4893643717.inchi |
| InChIKey | MCULE-4893643717.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867654302 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-887313617 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-34858955 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-851949635 | AmBeed | In stock | N/A | As is | in stock |
| P-597006584 | Angene | Building Blocks in stock | 98 | As is | 27 g |
| P-895929972 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864150703 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-901464770 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-580762664 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-870646385 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-596579145 | Key Organics | Building Blocks | 97 | As is | 250 mg |
| P-870640906 | Key Organics | Screening Compounds and Fragments | 97 | As is | 100 mg |
| P-31131056 | LaboTest | Screening Collection | 90 | As is | 1000 mg |
| P-580484414 | Manchester Organics | Compounds on demand | 98 | As is | by synthesis |
| P-888878687 | PharmaBlock | In stock | N/A | As is | in stock |
| P-500399216 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-19626460 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-856970032 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-869163322 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892299271 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-888658694 | TargetMol | Screening Compounds - stock amount | 95 | As is | 201 mg |
| P-888438571 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-578063317 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 644 mg |
| P-893994195 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 236.296 |
| logP | 1.9763 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 111.6 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 67.5128 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 12 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
