Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3346030220-2
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 | 8 USD | 98 | 20 working days | Get Quote |
| 5 mg | 8 USD | 98 | 20 working days | Get Quote |
| 10 mg | 8 USD | 98 | 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.
-
MCULE-2052857874-2
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3346030220-2.sdf |
| SMILES | MCULE-3346030220-2.smiles |
| Standard InChI | MCULE-3346030220-2.inchi |
| InChIKey | MCULE-3346030220-2.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-851470883 | AmBeed | On request | N/A | As is | by synthesis |
| P-590846665 | BLD pharm | Non-stock building blocks | 96 | As is | by synthesis |
| P-855926350 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-851378212 | Synthonix | In-stock Building Blocks | 96 | As is | unavailable |
| P-606909136 | AmBeed | In stock | N/A | As a main component | in stock |
| P-596983477 | Angene | Building Blocks in stock | 98 | As a main component | 596 g |
| P-864203322 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
| P-584630244 | BLD pharm | In-stock building blocks | 98 | As a main component | 631 g |
| P-887109889 | Combi-Blocks | Building Block in stock | 98 | As a main component | in stock |
| P-524183948 | Key Organics | Building Blocks | 98 | As a main component | 100 g |
| P-855995966 | Key Organics | Screening Compounds and Fragments | 98 | As a main component | 100 mg |
| P-502329332 | TimTec | Building Block Collection | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 126.182 |
| logP | 1.4476 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 60.77 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 34.3877 |
| Atoms | 14 |
| Rings | 1 |
| Heavy atoms | 8 |
| Hydrogen atoms | 6 |
| Heteroatoms | 3 |
| 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 |
