Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9017509454
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 | 36 USD | 95 | 14 working days | Get Quote |
| 5 mg | 36 USD | 95 | 14 working days | Get Quote |
| 10 mg | 36 USD | 95 | 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-5369439007
- Component type: Main
-
MCULE-7574957024
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9017509454.sdf |
| SMILES | MCULE-9017509454.smiles |
| Standard InChI | MCULE-9017509454.inchi |
| InChIKey | MCULE-9017509454.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-890839089 | ACS Scientific | In stock catalog | 97 | As is | in stock |
| P-851490358 | AmBeed | On request | N/A | As is | by synthesis |
| P-596499521 | Asinex | General bb catalog | 90 | As is | unavailable |
| P-611110958 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-504640642 | ChemBridge | RUSH - CORE LIBRARY | 90 | As is | 5 mg |
| P-867613255 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
| P-875773182 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
| P-613851816 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
| P-893582107 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As a main component | 8.7 g |
| P-867720250 | AmBeed | In stock | N/A | As a main component | in stock |
| P-865915035 | Angene | Building Blocks in stock | 98 | As a main component | 4 g |
| P-892496394 | Asinex | General screening catalog | 90 | As a main component | 1000 mg |
| P-869392903 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
| P-862400657 | BLD pharm | In-stock building blocks | 95 | As a main component | 4 g |
| P-887157322 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
| P-889414814 | FluoroChem | General BB | N/A | As a main component | in stock |
| P-852420897 | Matrix Scientific | All | N/A | As a main component | in stock |
| P-852436114 | Matrix Scientific | All | N/A | As a main component | in stock |
| P-863717003 | MedChemExpress | In stock Building Blocks | 95 | As a main component | in stock |
| P-889871387 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As a main component | by synthesis |
| P-611392273 | Toronto Research | In stock | 90 | As a main component | in stock |
| P-868526822 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 170.252 |
| logP | 0.3373 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 24.5 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 55.7617 |
| Atoms | 30 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 18 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
