Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9822277839
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 | 6 USD | 97 | 14 working days | Get Quote |
| 5 mg | 6 USD | 97 | 14 working days | Get Quote |
| 10 mg | 6 USD | 97 | 14 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-9822277839.sdf |
| SMILES | MCULE-9822277839.smiles |
| Standard InChI | MCULE-9822277839.inchi |
| InChIKey | MCULE-9822277839.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867552885 | 97 | As is | in stock |
| P-875711320 | N/A | As is | in stock |
| P-535626643 | 95 | As is | in stock |
| P-505350527 | 98 | As is | in stock |
| P-903038389 | 97 | As is | 10 g |
| P-610983380 | 90 | As is | 469.45 g |
| P-617062732 | N/A | As is | in stock |
| P-606857640 | N/A | As is | in stock |
| P-489197353 | 97 | As is | in stock |
| P-489229689 | 97 | As is | in stock |
| P-596942279 | 97 | As is | 10 g |
| P-494348588 | 95 | As is | 3.35 g |
| P-864098919 | 95 | As is | in stock |
| P-580705094 | 97 | As is | 258.25 g |
| P-851206042 | 95 | As is | 25 g |
| P-851260066 | 95 | As is | by synthesis |
| P-861279974 | 97 | As is | in stock |
| P-868582662 | 97 | As is | in stock |
| P-580423426 | 95 | As is | by resynthesis (? - ? days) |
| P-862012463 | 95 | As is | 163.701 g |
| P-905341267 | 95 | As is | 40 g |
| P-888312320 | N/A | As is | in stock |
| P-863615601 | 98 | As is | by synthesis |
| P-505508394 | 95 | As is | in stock |
| P-505538404 | 95 | As is | in stock |
| P-488544735 | 90 | As is | in stock |
| P-13786028 | 95 | As is | 300 mg |
| P-500155667 | 96 | As is | in stock |
| P-454328716 | 95 | As is | 100 mg |
| P-454406758 | 95 | As is | 5 g |
| P-608079713 | 97 | As is | 50 g |
| P-613337794 | 95 | As is | by synthesis |
| P-580508412 | N/A | As is | by synthesis |
| P-852482840 | N/A | As is | in stock |
| P-888891297 | N/A | As is | in stock |
| P-454365064 | 92 | As is | in stock |
| P-13930692 | 92 | As is | 300 mg |
| P-885529209 | 95 | As is | by synthesis |
| P-519921484 | 90 | As is | in stock |
| P-613817300 | 95 | As is | in stock |
| P-502330089 | 90 | As is | in stock |
| P-906761920 | 98 | As is | by synthesis |
| P-611385531 | 90 | As is | in stock |
| P-2776952 | 90 | As is | 1.023 g |
| P-464682958 | 90 | As is | 1.023 g |
| P-893945645 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 224.054 |
| logP | 2.7429 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 32.86 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 51.3862 |
| Atoms | 18 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 6 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
