Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2157553829
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 | N/A | 9 working days | Get Quote |
| 5 mg | 20 USD | N/A | 20 working days | Get Quote |
| 10 mg | 20 USD | N/A | 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-2157553829.sdf |
| SMILES | MCULE-2157553829.smiles |
| Standard InChI | MCULE-2157553829.inchi |
| InChIKey | MCULE-2157553829.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867582487 | 95 | As is | in stock |
| P-904494337 | N/A | As is | in stock |
| P-590389613 | 98 | As is | in stock |
| P-893523374 | 90 | As is | 53.656 g |
| P-851938575 | N/A | As is | in stock |
| P-597009427 | N/A | As is | 25 g |
| P-901329032 | 98 | As is | in stock |
| P-864154471 | 95 | As is | in stock |
| P-893231881 | 95 | As is | in stock |
| P-580438764 | 95 | As is | by resynthesis (? - ? days) |
| P-901402697 | 98 | As is | 11.873 g |
| P-675218688 | 95 | As is | in stock |
| P-887354085 | 95 | As is | by synthesis |
| P-580036098 | 90 | As is | in stock |
| P-870641444 | 95 | As is | 100 mg |
| P-596602929 | 95 | As is | 1000 mg |
| P-608279696 | 98 | As is | in stock |
| P-888891462 | N/A | As is | in stock |
| P-889885437 | 95 | As is | by synthesis |
| P-617404723 | N/A | As is | in stock |
| P-580050281 | 95 | As is | by synthesis |
| P-892279298 | 95 | As is | by synthesis |
| P-869176477 | 95 | As is | in stock |
| P-869179666 | 95 | As is | in stock |
| P-904255136 | 95 | As is | unavailable |
| P-892292994 | 95 | As is | 556 mg |
| P-892328489 | 95 | As is | 556 mg |
| P-892354361 | 95 | As is | 2 mg |
| P-906773059 | 98 | As is | by synthesis |
| P-855082858 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 178.184 |
| logP | 1.6129 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 46.53 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 50.055 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 10 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
