Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3872208936
Compound
Show structures
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 | 16 USD | 90 | 18 working days | Get Quote |
| 5 mg | 16 USD | 90 | 18 working days | Get Quote |
| 10 mg | 16 USD | 90 | 18 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.
-
1
MCULE-8855844149
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3872208936.sdf |
| SMILES | MCULE-3872208936.smiles |
| Standard InChI | MCULE-3872208936.inchi |
| InChIKey | MCULE-3872208936.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-869188827 | AK Scientific | Building Blocks | 90 | As is | in stock |
| P-575539826 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-895930594 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-893236782 | Biosynth | In Stock | 95 | As is | in stock |
| P-616235449 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 1 mg |
| P-608220814 | Glentham Life Sciences | Compounds maintained in stock | N/A | As is | in stock |
| P-505494141 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-580048455 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-31249973 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-502366219 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-899770719 | Specs | Screening Compounds | 90 | Main component | 19.012 g |
| P-893137840 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
| P-869301577 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
| P-869277973 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
| P-870653350 | Glentham Life Sciences | Compounds typically in stock | N/A | Main component as a main component | in stock |
| P-856034620 | LaboTest | Screening Collection | 90 | Main component as a main component | 250 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 479.007 |
| logP | 5.3061 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 65.44 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 142.2709 |
| Atoms | 65 |
| Rings | 4 |
| Heavy atoms | 34 |
| Hydrogen atoms | 31 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 |
