Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8616500288
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 | 44 USD | 90 | 23 working days | Get Quote |
| 5 mg | 71 USD | 90 | 23 working days | Get Quote |
| 10 mg | 88 USD | 90 | 23 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-8616500288.sdf |
| SMILES | MCULE-8616500288.smiles |
| Standard InChI | MCULE-8616500288.inchi |
| InChIKey | MCULE-8616500288.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-869196514 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851420277 | AmBeed | On request | N/A | As is | by synthesis |
| P-596322425 | Asinex | General screening catalog | 90 | As is | 36 mg |
| P-889801244 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-611206957 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-901531569 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-4771213 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 1 mg |
| P-22006032 | ChemDiv | Discovery Chemistry Library | 90 | As is | 2 mg |
| P-125806 | Chemical Block | Screening Library | 90 | As is | 202 mg |
| P-861392253 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-34676845 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-580383551 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
| P-569192082 | Eximed | In-stock screening compounds | 90 | As is | in stock |
| P-569433735 | Eximed | Building Block Catalog | 95 | As is | 2.94 g |
| P-502545320 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-502971467 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-580005243 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-580472825 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-854845494 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-620228534 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 3.94 g |
| P-12814679 | Otava | In-House Stock Library | 90 | As is | 3.94 g |
| P-856064767 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 4.04 g |
| P-18885166 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-902632590 | Specs | Natural Products | 80 | As is | 20 mg |
| P-12507157 | Specs | Screening Compounds | 90 | As is | 20 mg |
| P-22581673 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-1831284 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 124 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 265.287 |
| logP | 2.6744 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 91.85 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 66.4225 |
| Atoms | 29 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 11 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
