Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2325784233
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 | 10 USD | 98 | 20 working days | Get Quote |
| 5 mg | 10 USD | 98 | 20 working days | Get Quote |
| 10 mg | 10 USD | 98 | 20 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-2325784233.sdf |
| SMILES | MCULE-2325784233.smiles |
| Standard InChI | MCULE-2325784233.inchi |
| InChIKey | MCULE-2325784233.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867590564 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-867627459 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-869188519 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-590396971 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-874650063 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-893481631 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 119.364 g |
| P-580242991 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-851940023 | AmBeed | In stock | N/A | As is | in stock |
| P-606857892 | AmBeed | In stock | N/A | As is | in stock |
| P-865911191 | Angene | Building Blocks in stock | 97 | As is | 10 g |
| P-619158553 | Angene | Building Blocks in stock | 98 | As is | 500 g |
| P-589657430 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864229707 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-870660282 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-502444707 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-502597231 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-454422693 | Key Organics | Building Blocks | 95 | As is | 50 g |
| P-855996811 | Key Organics | Screening Compounds and Fragments | 95 | As is | 100 mg |
| P-856013161 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-613278384 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-620223264 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1000 mg |
| P-620068181 | Otava | In-House Stock Library | 90 | As is | 1000 mg |
| P-500391026 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
| P-596786054 | Synthonix | In-stock Building Blocks | 97 | As is | 928 g |
| P-855248943 | Toronto Research | In stock | 90 | As is | in stock |
| P-608160761 | Trans World Chemicals | A-chem Products | 97 | As is | in stock |
| P-893993621 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 165.146 |
| logP | 2.1628 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 66.05 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 46.661 |
| Atoms | 19 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 7 |
| Heteroatoms | 4 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
