Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9892797934-0
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 | 6 USD | 97 | 20 working days | Get Quote |
| 5 mg | 6 USD | 97 | 20 working days | Get Quote |
| 10 mg | 6 USD | 97 | 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-9892797934-0.sdf |
| SMILES | MCULE-9892797934-0.smiles |
| Standard InChI | MCULE-9892797934-0.inchi |
| InChIKey | MCULE-9892797934-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867565422 | 97 | As is | in stock |
| P-875725109 | N/A | As is | in stock |
| P-590358855 | 95 | As is | in stock |
| P-903054259 | 97 | As is | 50 g |
| P-905481007 | 97 | As is | 10 g |
| P-893534028 | 90 | As is | 177.86 g |
| P-606931157 | N/A | As is | in stock |
| P-596946860 | 97 | As is | 10 g |
| P-589661927 | 95 | As is | by resynthesis (? - ? days) |
| P-596284447 | 90 | As is | 1000 mg |
| P-596487059 | 90 | As is | 1000 mg |
| P-864164361 | 97 | As is | in stock |
| P-590606689 | 97 | As is | 3.7 g |
| P-901435744 | 95 | As is | by synthesis |
| P-454680925 | 90 | As is | in stock |
| P-5098707 | 90 | As is | 12 mg |
| P-436441693 | 90 | As is | 18.9 g |
| P-251077 | 90 | As is | 1.009 g |
| P-889032637 | 97 | As is | in stock |
| P-34738299 | 90 | As is | in stock |
| P-580786859 | 90 | As is | by resynthesis (? - ? days) |
| P-580437444 | 95 | As is | by resynthesis (? - ? days) |
| P-861946736 | 95 | As is | 64.16 g |
| P-502576801 | 95 | As is | by synthesis |
| P-502789183 | 90 | As is | in stock |
| P-488550149 | 90 | As is | in stock |
| P-13754314 | 95 | As is | 300 mg |
| P-579453461 | 97 | As is | 5 g |
| P-852401530 | N/A | As is | in stock |
| P-872795547 | 95 | As is | in stock |
| P-26434073 | 90 | As is | 250 g |
| P-492280215 | 95 | As is | 250 g |
| P-454371963 | 92 | As is | in stock |
| P-445278104 | 92 | As is | 300 mg |
| P-491225179 | 95 | As is | by synthesis |
| P-19104594 | 90 | As is | in stock |
| P-13082283 | 90 | As is | 56 mg |
| P-33445451 | 90 | As is | in stock |
| P-502334498 | 90 | As is | in stock |
| P-888361185 | 94 | As is | by resynthesis (? - ? days) |
| P-855017373 | 90 | As is | in stock |
| P-3240457 | 90 | As is | 1.203 g |
| P-840610 | 90 | As is | 1.203 g |
| P-464674770 | 90 | As is | 1.203 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 194.183 |
| logP | 0.9994 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 44.76 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 48.211 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 10 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
