Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3573269666
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 | 11 USD | 98 | 20 working days | Get Quote |
| 5 mg | 11 USD | 98 | 20 working days | Get Quote |
| 10 mg | 11 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-3573269666.sdf |
| SMILES | MCULE-3573269666.smiles |
| Standard InChI | MCULE-3573269666.inchi |
| InChIKey | MCULE-3573269666.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867551325 | 98 | As is | in stock |
| P-875709239 | N/A | As is | in stock |
| P-590412205 | 95 | As is | in stock |
| P-903035237 | 98 | As is | 200 g |
| P-893586385 | 90 | As is | 363.897 g |
| P-851929384 | N/A | As is | in stock |
| P-489164885 | 97 | As is | in stock |
| P-596982090 | 98 | As is | 100 g |
| P-579787783 | 95 | As is | by resynthesis (? - ? days) |
| P-864197032 | 95 | As is | in stock |
| P-901423402 | 95 | As is | by synthesis |
| P-34858648 | 90 | As is | in stock |
| P-868616271 | 95 | As is | in stock |
| P-580270864 | 95 | As is | by resynthesis (? - ? days) |
| P-861975737 | 98 | As is | 198.99 g |
| P-18811206 | 95 | As is | 10.552 g |
| P-454402069 | 95 | As is | 10.552 g |
| P-895896256 | 95 | As is | in stock |
| P-500383923 | 98 | As is | by synthesis |
| P-885538474 | 95 | As is | by synthesis |
| P-888447693 | 94 | As is | by resynthesis (? - ? days) |
| P-906794698 | 98 | As is | by synthesis |
| P-855012638 | 90 | As is | in stock |
| P-615402953 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 134.175 |
| logP | 2.01 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 9.23 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 40.593 |
| Atoms | 20 |
| Rings | 2 |
| Heavy atoms | 10 |
| Hydrogen atoms | 10 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| 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 |
