Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8695838479
Compound
Show structures
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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 49 USD | 90 | 19 working days | Get Quote |
| 10 mg | 62 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-8695838479.sdf |
| SMILES | MCULE-8695838479.smiles |
| Standard InChI | MCULE-8695838479.inchi |
| InChIKey | MCULE-8695838479.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852102093 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-889929750 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-869289709 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-4234729 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
| P-580440020 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-488555558 | InterBioScreen | Bioactive compounds | 92 | As is | in stock |
| P-895189992 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-872669579 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-888174113 | Molnova | On demand | 98 | As is | by synthesis |
| P-888683933 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-869129814 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-888641880 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| P-33207737 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
| P-872962676 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 2 mg |
| P-611615002 | Toronto Research | In stock | 90 | As is | in stock |
| P-578080296 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 36 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 361.431 |
| logP | 4.1867 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 9 |
| PSA | 77.88 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 101.6785 |
| Atoms | 53 |
| Rings | 2 |
| Heavy atoms | 26 |
| Hydrogen atoms | 27 |
| 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 |
