Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8130761901
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 | 9 USD | 99 | 20 working days | Get Quote |
| 5 mg | 9 USD | 99 | 20 working days | Get Quote |
| 10 mg | 9 USD | 99 | 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-8130761901.sdf |
| SMILES | MCULE-8130761901.smiles |
| Standard InChI | MCULE-8130761901.inchi |
| InChIKey | MCULE-8130761901.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867589317 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
| P-875748802 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-881662050 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-590416111 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-606931316 | AmBeed | In stock | N/A | As is | in stock |
| P-596955614 | Angene | Building Blocks in stock | 99 | As is | 3 kg |
| P-895930442 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-596280531 | Asinex | General screening catalog | 90 | As is | 95 mg |
| P-864183858 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-590600568 | BLD pharm | In-stock building blocks | 99 | As is | 9 g |
| P-619313548 | ChemDiv | Discovery Chemistry Library | 90 | As is | 29 mg |
| P-868617880 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580302718 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-861966806 | FluoroChem | General BB | N/A | As is | in stock |
| P-596567081 | Key Organics | Building Blocks | 97 | As is | 5 g |
| P-870639863 | Key Organics | Screening Compounds and Fragments | 97 | As is | 100 mg |
| P-895896418 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-424870018 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885539189 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-12297211 | Specs | Screening Compounds | 90 | As is | 2.684 g |
| P-596788321 | Synthonix | In-stock Building Blocks | 99 | As is | 593 g |
| P-33607493 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611520904 | Toronto Research | In stock | 90 | As is | in stock |
| P-611435181 | Toronto Research | In stock | 90 | As is | in stock |
| P-596719248 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 110 mg |
| P-615407185 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 248.299 |
| logP | 3.8435 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 51.75 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 65.708 |
| Atoms | 29 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 12 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
