Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5077131351
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 | 11 USD | 98 | 20 working days | Get Quote |
| 5 mg | 11 USD | 98 | 20 working days | Get Quote |
| 10 mg | 11 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-5077131351.sdf |
| SMILES | MCULE-5077131351.smiles |
| Standard InChI | MCULE-5077131351.inchi |
| InChIKey | MCULE-5077131351.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867609428 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875768623 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-597024574 | AEchem | Building blocks | 95 | As is | in stock |
| P-590398369 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893526273 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 302.11 g |
| P-580244004 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-851948635 | AmBeed | In stock | N/A | As is | in stock |
| P-489125875 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-865914105 | Angene | Building Blocks in stock | 98 | As is | 35 g |
| P-864104353 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-675653279 | BLD pharm | In-stock building blocks | 98 | As is | 6.25 g |
| P-505595496 | Chemcia | Stock compounds | 97 | As is | in stock |
| P-851264872 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868593664 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-862002028 | FluoroChem | General BB | N/A | As is | in stock |
| P-900322489 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-454411276 | Key Organics | Building Blocks | 95 | As is | 116.862 g |
| P-18809420 | Key Organics | Screening Compounds and Fragments | 95 | As is | 116.861 g |
| P-608114943 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-580496614 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852415160 | Matrix Scientific | All | N/A | As is | in stock |
| P-863695534 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-500411618 | Pi Chemicals | Virtual Compounds | 95 | As is | by synthesis |
| P-502393326 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611492617 | Toronto Research | In stock | 90 | As is | in stock |
| P-666989340 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 167.137 |
| logP | 1.2946 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 38.33 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 43.2187 |
| Atoms | 18 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 6 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
