Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4116382006-1
Structure
Show compound
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 | 6 USD | N/A | 14 working days | Get Quote |
| 5 mg | 6 USD | N/A | 14 working days | Get Quote |
| 10 mg | 6 USD | N/A | 14 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.
-
MCULE-9764702574-0
- Component type: Main
-
MCULE-8706538802-0
- Component type: Main
-
MCULE-8942468086-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4116382006-1.sdf |
| SMILES | MCULE-4116382006-1.smiles |
| Standard InChI | MCULE-4116382006-1.inchi |
| InChIKey | MCULE-4116382006-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875704853 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
| P-505352239 | AK Scientific | Building Blocks | 98 | As a main component | in stock |
| P-505403824 | AK Scientific | Building Blocks | 99 | As a main component | in stock |
| P-881670988 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-869278840 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-606907423 | AmBeed | In stock | N/A | As a main component | in stock |
| P-596940423 | Angene | Building Blocks in stock | 95 | As a main component | 19.316 kg |
| P-580194727 | Apexbio Technology | Bioactive Compound Library | 98 | As a main component | in stock |
| P-494349754 | Apollo Scientific | In Stock | 95 | As a main component | in stock |
| P-868544692 | Axon Medchem | Axon predominantly SC catalog | 98 | As a main component | in stock |
| P-580700800 | BLD pharm | In-stock building blocks | 95 | As a main component | 2.3 kg |
| P-868609976 | Combi-Blocks | Building Block in stock | 98 | As a main component | in stock |
| P-889117656 | FluoroChem | In Stock BB | N/A | As a main component | 100 g |
| P-608220849 | Glentham Life Sciences | Compounds maintained in stock | 98 | As a main component | in stock |
| P-504021998 | Innovapharm | Virtual Screening Compounds | 90 | As a main component | by synthesis |
| P-504022398 | Innovapharm | Virtual Screening Compounds | 90 | As a main component | by synthesis |
| P-856009076 | Key Organics | Biochemicals | 99 | As a main component | 100 mg |
| P-608272380 | Molnova | Stock | 98 | As a main component | in stock |
| P-589631442 | Selleckchem | Epigenetics | N/A | As a main component | in stock |
| P-579710579 | Selleckchem | Product Catalog | N/A | As a main component | in stock |
| P-888632645 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
| P-464631048 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
| P-33415373 | TimTec | ActiMol 2 Week | 90 | As a main component | in stock |
| P-886893574 | eNovation Chemicals LLC | Building Blocks in stock | 99 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 87.097 |
| logP | -0.4636 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 40.13 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 21.1715 |
| Atoms | 13 |
| Rings | 0 |
| Heavy atoms | 6 |
| Hydrogen atoms | 7 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
