Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1246093459
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-1246093459.sdf |
| SMILES | MCULE-1246093459.smiles |
| Standard InChI | MCULE-1246093459.inchi |
| InChIKey | MCULE-1246093459.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852082327 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-889911635 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-615721231 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-436456456 | Alinda | Building Blocks | 95 | As is | 12 g |
| P-34857658 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-851727194 | AmBeed | On request | N/A | As is | by synthesis |
| P-901351996 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-591053360 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-504686172 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 85 | As is | 5 mg |
| P-619933634 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-448736042 | ChemDiv | Discovery Chemistry Library | 90 | As is | 42 mg |
| P-114720 | Chemical Block | Screening Library | 90 | As is | 958 mg |
| P-861526637 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-34674661 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-502467361 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-504282654 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-675482692 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-492227810 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-12797282 | InterBioScreen | Screening Compounds | 95 | As is | 300 mg |
| P-855972884 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-852429153 | Matrix Scientific | All | N/A | As is | in stock |
| P-895668648 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-13378196 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-19579467 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-902560310 | Specs | Natural Products | 80 | As is | 252 mg |
| P-896076136 | Specs | Repurposed Compounds | N/A | As is | 252 mg |
| P-33442363 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502327644 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-888443582 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611611246 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 229.666 |
| logP | 0.6754 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 77.16 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 59.7204 |
| Atoms | 27 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 12 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
