Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2595947277
Compound
Show structures
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 | 98 | 16 working days | Get Quote |
| 5 mg | 28 USD | 98 | 20 working days | Get Quote |
| 10 mg | 46 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-2595947277.sdf |
| SMILES | MCULE-2595947277.smiles |
| Standard InChI | MCULE-2595947277.inchi |
| InChIKey | MCULE-2595947277.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867616618 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875777895 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869303717 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-610974992 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 500 mg |
| P-606949628 | AmBeed | In stock | N/A | As is | in stock |
| P-596963828 | Angene | Building Blocks in stock | 98 | As is | 215 mg |
| P-864140099 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-580725563 | BLD pharm | In-stock building blocks | 98 | As is | 215 mg |
| P-851279922 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-860799626 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-861362130 | Combi-Blocks | Building Block on demand | 97 | As is | by synthesis |
| P-579480214 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-675215301 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-563588468 | Key Organics | Building Blocks | 97 | As is | 100 mg |
| P-854711973 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-474021600 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608270603 | Molnova | Stock | 98 | As is | in stock |
| P-889881502 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-617404328 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-888640653 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869127634 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-611400306 | Toronto Research | In stock | 90 | As is | in stock |
| P-575302156 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 411.382 |
| logP | 1.919 |
| H-bond acceptors | 9 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 102.52 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 103.9184 |
| Atoms | 49 |
| Rings | 4 |
| Heavy atoms | 29 |
| Hydrogen atoms | 20 |
| Heteroatoms | 12 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
