Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1698944170-0
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 | 50 USD | 95 | 20 working days | Get Quote |
| 5 mg | 50 USD | 95 | 20 working days | Get Quote |
| 10 mg | 50 USD | 95 | 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.
-
1
MCULE-3829377369-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1698944170-0.sdf |
| SMILES | MCULE-1698944170-0.smiles |
| Standard InChI | MCULE-1698944170-0.inchi |
| InChIKey | MCULE-1698944170-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886821008 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-890096853 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-889798198 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-861398762 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-875805137 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-612942678 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-868821891 | AmBeed | In stock | N/A | Main component | in stock |
| P-619169452 | Angene | Building Blocks in stock | 95 | Main component | 20 g |
| P-596493407 | Asinex | General bb catalog | 90 | Main component | unavailable |
| P-596420984 | Asinex | General screening catalog | 90 | Main component | unavailable |
| P-864180912 | AstaTech | In Stock BBs | 95 | Main component | in stock |
| P-866716826 | BLD pharm | In-stock building blocks | 95 | Main component | 14 g |
| P-7108788 | ChemBridge | EXPRESS-Pick Collection | 90 | Main component | 20 mg |
| P-619933229 | ChemDiv | Building Blocks on demand | 90 | Main component | by synthesis |
| P-868637023 | Combi-Blocks | Building Block in stock | 96 | Main component | in stock |
| P-861973757 | FluoroChem | General BB | N/A | Main component | in stock |
| P-488546997 | InterBioScreen | Building Blocks | 90 | Main component | in stock |
| P-13732974 | InterBioScreen | Screening Compounds | 92 | Main component | 300 mg |
| P-852386288 | Matrix Scientific | All | N/A | Main component | in stock |
| P-854920871 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-454366741 | Pharmeks LLC | Building Blocks | 92 | Main component | in stock |
| P-19059907 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-870518609 | Synthonix | In-stock Building Blocks | 95 | Main component | 66 g |
| P-502333521 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-855233256 | Toronto Research | In stock | 90 | Main component | in stock |
| P-3238422 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | Main component | 3.753 g |
| P-615406268 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
| P-612870084 | A2B Chem | Predominantly Building Block on demand | 95 | Main component as a main component | by synthesis |
| P-851683834 | AmBeed | On request | N/A | Main component as a main component | by synthesis |
| P-611106836 | BLD pharm | Non-stock building blocks | 97 | Main component as a main component | by synthesis |
| P-492251618 | ChemBridge | Building Block Library | 95 | Main component as a main component | in stock |
| P-619319677 | ChemDiv | Discovery Chemistry Library | 90 | Main component as a main component | 24 mg |
| P-861344853 | Combi-Blocks | Building Block on demand | 95 | Main component as a main component | by synthesis |
| P-34726483 | Crea-Chim | HTS compounds | 90 | Main component as a main component | by resynthesis (? - ? days) |
| P-580787580 | Crea-Chim | Building Blocks | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-862057740 | FluoroChem | General BB | N/A | Main component as a main component | in stock |
| P-855950024 | Key Organics | Building Blocks | 95 | Main component as a main component | 1000 mg |
| P-502440825 | TimTec | Building Block Collection | 90 | Main component as a main component | in stock |
| P-868539909 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 247.161 |
| logP | 4.3607 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 29.26 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 72.2704 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 16 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| 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 |
