Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9547583591-0
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 34 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.
| Name | File |
|---|---|
| SDF | MCULE-9547583591-0.sdf |
| SMILES | MCULE-9547583591-0.smiles |
| Standard InChI | MCULE-9547583591-0.inchi |
| InChIKey | MCULE-9547583591-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867631314 | 98 | As is | in stock |
| P-875795318 | N/A | As is | in stock |
| P-903147291 | 98 | As is | 37 g |
| P-893533872 | 90 | As is | 78.47 g |
| P-606859665 | N/A | As is | in stock |
| P-489231232 | 97 | As is | in stock |
| P-596976925 | 98 | As is | 36 g |
| P-895932319 | 95 | As is | by resynthesis (? - ? days) |
| P-864088610 | 95 | As is | in stock |
| P-619604707 | 98 | As is | 3.58 g |
| P-901525447 | 95 | As is | by synthesis |
| P-872749426 | 98 | As is | in stock |
| P-580279799 | 95 | As is | by resynthesis (? - ? days) |
| P-862025592 | 95 | As is | 36.72 g |
| P-13462868 | 92 | As is | 39 mg |
| P-563475241 | 95 | As is | 5 g |
| P-608093230 | 95 | As is | 10 g |
| P-863713975 | 95 | As is | in stock |
| P-888888189 | N/A | As is | in stock |
| P-674421144 | 92 | As is | 39 mg |
| P-889871701 | 95 | As is | by synthesis |
| P-520086453 | 90 | As is | in stock |
| P-611569983 | 90 | As is | in stock |
| P-2156732 | 90 | As is | 21 mg |
| P-886932139 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 160.172 |
| logP | 1.1221 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 46.01 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 45.6658 |
| Atoms | 20 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 8 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
