Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9642506548-0
Structure
Show compound
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 | 13 USD | 65 | 11 working days | Get Quote |
| 5 mg | 13 USD | 65 | 11 working days | Get Quote |
| 10 mg | 13 USD | 65 | 11 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.
-
MCULE-1292477059-0
- Component type: Unknown
-
MCULE-6438261938-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9642506548-0.sdf |
| SMILES | MCULE-9642506548-0.smiles |
| Standard InChI | MCULE-9642506548-0.inchi |
| InChIKey | MCULE-9642506548-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867582358 | A2B Chem | Predominantly Building Block in stock | 65 | As is | in stock |
| P-875741572 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-889750853 | AmBeed | On request | N/A | As is | by synthesis |
| P-851943300 | AmBeed | In stock | N/A | As is | in stock |
| P-864120178 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-893257056 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-868615355 | Combi-Blocks | Building Block in stock | 65 | As is | in stock |
| P-862057011 | FluoroChem | General BB | 95 | As is | in stock |
| P-563481192 | Key Organics | Building Blocks | 95 | As is | 100 g |
| P-855994007 | Key Organics | Screening Compounds and Fragments | 95 | As is | 100 mg |
| P-621858001 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-885547490 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-867363467 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
| P-33325932 | TimTec | ActiMol 2 Week | 90 | As a component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 174.177 |
| logP | 1.7197 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 82.98 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 38.3238 |
| Atoms | 17 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 6 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
