Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9255904323
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 | 16 USD | 95 | 18 working days | Get Quote |
| 5 mg | 16 USD | 95 | 18 working days | Get Quote |
| 10 mg | 16 USD | 95 | 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-9255904323.sdf |
| SMILES | MCULE-9255904323.smiles |
| Standard InChI | MCULE-9255904323.inchi |
| InChIKey | MCULE-9255904323.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867585583 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-612921814 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-869191192 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-869182388 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-590370147 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-590414321 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-869303470 | AK Scientific | Building Blocks | N/A | As is | in stock |
| P-851934280 | AmBeed | In stock | N/A | As is | in stock |
| P-851743683 | AmBeed | On request | N/A | As is | by synthesis |
| P-895928955 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-893224156 | Biosynth | In Stock | 95 | As is | in stock |
| P-893224157 | Biosynth | In Stock | 95 | As is | in stock |
| P-862033216 | FluoroChem | General BB | 93 | As is | in stock |
| P-855953184 | Key Organics | Building Blocks | 97 | As is | 500 g |
| P-856041755 | LaboTest | Building Blocks | 90 | As is | 10 g |
| P-31274602 | LaboTest | Screening Collection | 90 | As is | 10 g |
| P-889865999 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-611445786 | Toronto Research | In stock | 90 | As is | in stock |
| P-611513080 | Toronto Research | In stock | 90 | As is | in stock |
| P-893991106 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 340.497 |
| logP | 5.0618 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 16 |
| PSA | 52.6 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 100.35 |
| Atoms | 60 |
| Rings | 0 |
| Heavy atoms | 24 |
| Hydrogen atoms | 36 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
