Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2106181573-1
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 | 7 USD | 98 | 16 working days | Get Quote |
| 5 mg | 7 USD | 98 | 16 working days | Get Quote |
| 10 mg | 7 USD | 98 | 16 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.
| Name | File |
|---|---|
| SDF | MCULE-2106181573-1.sdf |
| SMILES | MCULE-2106181573-1.smiles |
| Standard InChI | MCULE-2106181573-1.inchi |
| InChIKey | MCULE-2106181573-1.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867557140 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
| P-875716164 | AA Blocks | AA Blocks | N/A | As is | in stock |
| P-869195581 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505389347 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-869243048 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-505396992 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-580241822 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-606835260 | AmBeed | In stock | N/A | As is | in stock |
| P-596927349 | Angene | Building Blocks in stock | 98 | As is | 50 g |
| P-864107423 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-580725009 | BLD pharm | In-stock building blocks | 98 | As is | 500 mg |
| P-851260735 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868600026 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-580272524 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-889117043 | FluoroChem | In Stock BB | N/A | As is | 9 g |
| P-870662066 | Glentham Life Sciences | Compounds typically in stock | 99 | As is | in stock |
| P-870662234 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-500417792 | Glentham Life Sciences | Compounds maintained in stock | 99 | As is | in stock |
| P-596548745 | Key Organics | Biochemicals | 97 | As is | 100 mg |
| P-856045732 | LaboTest | Building Blocks | 90 | As is | 2 g |
| P-31167316 | LaboTest | Screening Collection | 90 | As is | 2 g |
| P-852459353 | Matrix Scientific | All | N/A | As is | in stock |
| P-863733196 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-474024914 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608274380 | Molnova | Stock | 98 | As is | in stock |
| P-520024368 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-579711037 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-666739713 | Specs | Screening Compounds | 90 | As is | 710 mg |
| P-888626820 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869107783 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-502365540 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-666976814 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 416.122 |
| logP | 6.4548 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 6 |
| PSA | 27.05 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 103.202 |
| Atoms | 39 |
| Rings | 3 |
| Heavy atoms | 25 |
| Hydrogen atoms | 14 |
| Heteroatoms | 7 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| 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 |
