Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-3676690944
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 | 8 USD | 99 | 20 working days | Get Quote |
| 5 mg | 39 USD | 95 | 9 working days | Get Quote |
| 10 mg | 53 USD | 95 | 9 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-6210817059
- Component type: Main
-
1
MCULE-8295936189
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3676690944.sdf |
| SMILES | MCULE-3676690944.smiles |
| Standard InChI | MCULE-3676690944.inchi |
| InChIKey | MCULE-3676690944.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867602374 | A2B Chem | Predominantly Building Block in stock | 90 | As is | in stock |
| P-875760043 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-874630658 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-892188969 | Angene | Building Blocks in stock | 98 | As is | 1000 mg |
| P-889520245 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-869163670 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892299840 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-888659003 | TargetMol | Screening Compounds - stock amount | 95 | As is | 74 mg |
| P-868515522 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-867569891 | A2B Chem | Predominantly Building Block in stock | 99 | Main component | in stock |
| P-875729212 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-595222350 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-865907921 | Angene | Building Blocks in stock | 99 | Main component | 8.23 g |
| P-864173629 | AstaTech | In Stock BBs | 98 | Main component | in stock |
| P-855063108 | Toronto Research | In stock | 90 | Main component | in stock |
| P-868501606 | eNovation Chemicals LLC | Building Blocks in stock | 90 | Main component | in stock |
| P-889797869 | AstaTech | Backordered BBs | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 1106.230 |
| logP | 3.1604 |
| H-bond acceptors | 27 |
| H-bond donors | 14 |
| Rotatable bonds | 36 |
| PSA | 446.14 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 289.7465 |
| Atoms | 154 |
| Rings | 4 |
| Heavy atoms | 79 |
| Hydrogen atoms | 75 |
| Heteroatoms | 27 |
| N/O atoms | 27 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 9 |
| R/S chiral centers | 9 |
| 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 |
