Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9529790389-0
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 | 7 USD | 98 | 20 working days | Get Quote |
| 5 mg | 7 USD | 98 | 20 working days | Get Quote |
| 10 mg | 7 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-9529790389-0.sdf |
| SMILES | MCULE-9529790389-0.smiles |
| Standard InChI | MCULE-9529790389-0.inchi |
| InChIKey | MCULE-9529790389-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867568896 | 98 | As is | in stock |
| P-875728991 | N/A | As is | in stock |
| P-590383882 | 95 | As is | in stock |
| P-903058559 | 98 | As is | 700 g |
| P-905484340 | 97 | As is | 10 g |
| P-893517128 | 90 | As is | 1.68447 kg |
| P-901165788 | 98 | As is | in stock |
| P-606925274 | N/A | As is | in stock |
| P-489174524 | 97 | As is | in stock |
| P-597010027 | 98 | As is | 600 g |
| P-552041150 | 95 | As is | by resynthesis (? - ? days) |
| P-864130655 | 95 | As is | in stock |
| P-619603433 | 98 | As is | 41 g |
| P-492247143 | 95 | As is | in stock |
| P-504734576 | 85 | As is | 5 mg |
| P-454754950 | 90 | As is | in stock |
| P-454691043 | 90 | As is | in stock |
| P-607762981 | 90 | As is | 26 mg |
| P-436445758 | 95 | As is | 25 g |
| P-34892519 | 90 | As is | in stock |
| P-851245806 | 95 | As is | by synthesis |
| P-868641496 | 98 | As is | in stock |
| P-34526072 | 90 | As is | in stock |
| P-580775152 | 90 | As is | by resynthesis (? - ? days) |
| P-580764636 | 90 | As is | in stock |
| P-580270751 | 95 | As is | by resynthesis (? - ? days) |
| P-905329877 | 95 | As is | 45 g |
| P-861930229 | 95 | As is | 723.902 g |
| P-590338306 | 90 | As is | 1000 mg |
| P-890215872 | 90 | As is | in stock |
| P-502455200 | 95 | As is | by synthesis |
| P-503433367 | 90 | As is | by synthesis |
| P-502684666 | 90 | As is | in stock |
| P-492214388 | 95 | As is | in stock |
| P-870640052 | 97 | As is | 100 mg |
| P-596568734 | 97 | As is | 5 g |
| P-608099186 | 95 | As is | unavailable |
| P-467885177 | 95 | As is | by synthesis |
| P-601069711 | 90 | As is | 171 mg |
| P-580474708 | N/A | As is | by synthesis |
| P-852395955 | N/A | As is | in stock |
| P-854757321 | 95 | As is | in stock |
| P-500384386 | 98 | As is | by synthesis |
| P-856063321 | 95 | As is | in stock |
| P-34127031 | 90 | As is | in stock |
| P-502330596 | 90 | As is | in stock |
| P-22496492 | 90 | As is | 883 mg |
| P-906794590 | 98 | As is | by synthesis |
| P-611476475 | 90 | As is | in stock |
| P-1176383 | 90 | As is | 1.36 g |
| P-615437215 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 186.234 |
| logP | 2.2298 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 80.57 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 46.7421 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 10 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
