Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5275448320
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 | 33 USD | 90 | 23 working days | Get Quote |
| 5 mg | 50 USD | 90 | 17 working days | Get Quote |
| 10 mg | 64 USD | 90 | 17 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-5275448320.sdf |
| SMILES | MCULE-5275448320.smiles |
| Standard InChI | MCULE-5275448320.inchi |
| InChIKey | MCULE-5275448320.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886662997 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-869352191 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851764527 | AmBeed | On request | N/A | As is | by synthesis |
| P-611132044 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-861370614 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-579804944 | Eximed | In-stock screening compounds | 90 | As is | 2.93 g |
| P-580089825 | Eximed | Building Block Catalog | 95 | As is | 2.93 g |
| P-502486317 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-503492641 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-870569371 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-492218795 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-488546661 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-13418119 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-596587917 | Key Organics | Building Blocks | 90 | As is | 1000 mg |
| P-31142801 | LaboTest | Screening Collection | 90 | As is | 200 mg |
| P-674896392 | Otava | In-House Stock Library | 90 | As is | 4.43 g |
| P-620226455 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 4.43 g |
| P-454366539 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-856072933 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 4.43 g |
| P-579269007 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-502353634 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-855233760 | Toronto Research | In stock | 90 | As is | in stock |
| P-1734919 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.02 g |
| P-3227610 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.02 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 285.747 |
| logP | 2.6499 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 62.83 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 71.249 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 12 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
