Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2177402280-0
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-2177402280-0.sdf |
| SMILES | MCULE-2177402280-0.smiles |
| Standard InChI | MCULE-2177402280-0.inchi |
| InChIKey | MCULE-2177402280-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886655481 | 95 | As is | in stock |
| P-889952495 | N/A | As is | by synthesis |
| P-869214077 | 95 | As is | in stock |
| P-903216341 | 95 | As is | 5 g |
| P-851571400 | N/A | As is | by synthesis |
| P-889816316 | 95 | As is | by synthesis |
| P-590947689 | 95 | As is | by synthesis |
| P-454756741 | 90 | As is | in stock |
| P-454719650 | 90 | As is | in stock |
| P-607694832 | 90 | As is | 28 mg |
| P-436462836 | 95 | As is | 30 g |
| P-861531366 | 95 | As is | by synthesis |
| P-34459686 | 90 | As is | in stock |
| P-580776391 | 90 | As is | by resynthesis (? - ? days) |
| P-580765786 | 90 | As is | in stock |
| P-488553067 | 90 | As is | in stock |
| P-13807541 | 95 | As is | 300 mg |
| P-596590387 | 90 | As is | 1000 mg |
| P-580460523 | 95 | As is | by synthesis |
| P-852433604 | N/A | As is | in stock |
| P-854873155 | 95 | As is | by synthesis |
| P-454373246 | 92 | As is | in stock |
| P-14002207 | 92 | As is | 300 mg |
| P-491223322 | 95 | As is | by synthesis |
| P-23815528 | 90 | As is | in stock |
| P-33465766 | 90 | As is | in stock |
| P-502342521 | 90 | As is | in stock |
| P-611601503 | 90 | As is | in stock |
| P-1144744 | 90 | As is | 727 mg |
| P-3234781 | 90 | As is | 727 mg |
| P-893728634 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 213.191 |
| logP | 1.406 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 100.94 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 53.6288 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 11 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| 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 |
