Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1579581072
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 | 5 USD | 98 | 22 working days | Get Quote |
| 5 mg | 5 USD | 98 | 22 working days | Get Quote |
| 10 mg | 5 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-1579581072.sdf |
| SMILES | MCULE-1579581072.smiles |
| Standard InChI | MCULE-1579581072.inchi |
| InChIKey | MCULE-1579581072.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867558935 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875718770 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869184606 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505348143 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-580238749 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-517094200 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-606893545 | AmBeed | In stock | N/A | As is | in stock |
| P-596944499 | Angene | Building Blocks in stock | 98 | As is | 1.5 kg |
| P-895937903 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864116956 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580696918 | BLD pharm | In-stock building blocks | 98 | As is | 265 g |
| P-893227364 | Biosynth | In Stock | 95 | As is | in stock |
| P-851271642 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868592829 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580434481 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-901365870 | FluoroChem | In Stock BB | N/A | As is | 100 g |
| P-870656399 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-505519353 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-492217050 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-454398912 | Key Organics | Building Blocks | 95 | As is | 224 mg |
| P-454312278 | Key Organics | Screening Compounds and Fragments | 95 | As is | 224 mg |
| P-613281517 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-580487984 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852443458 | Matrix Scientific | All | N/A | As is | in stock |
| P-428006427 | Maybridge | Screening Collection | 95 | As is | 10.438 kg |
| P-854739897 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-500401661 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-424836741 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885528434 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-23352758 | Specs | Screening Compounds | 90 | As is | 41.436 g |
| P-596762879 | Synthonix | In-stock Building Blocks | 98 | As is | 5.36 kg |
| P-33509424 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502352455 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22816524 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611402298 | Toronto Research | In stock | 90 | As is | in stock |
| P-35042404 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 4.8 g |
| P-464681197 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 4.8 g |
| P-868498543 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 189.035 |
| logP | 3.196 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 17.07 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 46.6565 |
| Atoms | 17 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 6 |
| Heteroatoms | 3 |
| N/O atoms | 1 |
| 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 |
