Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5676741485
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 | 7 USD | 98 | 22 working days | Get Quote |
| 5 mg | 7 USD | 98 | 22 working days | Get Quote |
| 10 mg | 7 USD | 98 | 22 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-5676741485.sdf |
| SMILES | MCULE-5676741485.smiles |
| Standard InChI | MCULE-5676741485.inchi |
| InChIKey | MCULE-5676741485.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867563871 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875723452 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869185745 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-590373834 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-893540633 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 648.387 g |
| P-606898682 | AmBeed | In stock | N/A | As is | in stock |
| P-489201530 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596928430 | Angene | Building Blocks in stock | 98 | As is | 200 g |
| P-895937416 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864184609 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-590638732 | BLD pharm | In-stock building blocks | 96 | As is | 122 g |
| P-871216921 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868608706 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-862032927 | FluoroChem | General BB | 95 | As is | in stock |
| P-488550637 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-12540115 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-596564816 | Key Organics | Building Blocks | 95 | As is | 5 g |
| P-870639593 | Key Organics | Screening Compounds and Fragments | 95 | As is | 100 mg |
| P-31197754 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-611662823 | Manchester Organics | Stock compounds | 95 | As is | 57.5 g |
| P-35219467 | Maybridge | Screening Collection | 90 | As is | 1.681 kg |
| P-854742686 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-454368955 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-579306950 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885524069 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-596765968 | Synthonix | In-stock Building Blocks | 95 | As is | 354.299 g |
| P-855355718 | Toronto Research | In stock | 90 | As is | in stock |
| P-1889035 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1000 mg |
| P-3228484 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1000 mg |
| P-893945500 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 235.017 |
| logP | 2.3898 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 74.6 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 50.3806 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 4 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
