Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4351402700-0
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 | 17 USD | 98 | 14 working days | Get Quote |
| 5 mg | 17 USD | 98 | 14 working days | Get Quote |
| 10 mg | 17 USD | 98 | 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.
-
MCULE-3116224857-0
- Component type: Main
-
MCULE-2562472034-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4351402700-0.sdf |
| SMILES | MCULE-4351402700-0.smiles |
| Standard InChI | MCULE-4351402700-0.inchi |
| InChIKey | MCULE-4351402700-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875799516 | N/A | As is | in stock |
| P-903153710 | 98 | As is | 25 g |
| P-1264048094 | 95 | As is | in stock |
| P-489119458 | 97 | As is | in stock |
| P-580706963 | 98 | As is | 2.5 g |
| P-871218705 | N/A | As is | by resynthesis (? - ? days) |
| P-851242998 | 95 | As is | by synthesis |
| P-868630829 | 97 | As is | in stock |
| P-579479153 | 95 | As is | in stock |
| P-852521025 | N/A | As is | in stock |
| P-904641426 | 95 | As is | by synthesis |
| P-854714166 | 95 | As is | in stock |
| P-474026346 | 95 | As is | in stock |
| P-608275552 | 98 | As is | in stock |
| P-1263958016 | 90 | As is | in stock |
| P-901275975 | N/A | As a main component | in stock |
| P-903171364 | 99 | As a main component | 25 g |
| P-901922825 | 99 | As a main component | 8.557 g |
| P-611023478 | 97 | As a main component | by synthesis |
| P-871218442 | N/A | As a main component | by resynthesis (? - ? days) |
| P-1263256984 | 95 | As a main component | by synthesis |
| P-902988924 | 95 | As a main component | by synthesis |
| P-895181307 | 95 | As a main component | in stock |
| P-474026349 | 95 | As a main component | in stock |
| P-906842315 | 98 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 366.418 |
| logP | 5.13506 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 97.42 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 110.4134 |
| Atoms | 46 |
| Rings | 3 |
| Heavy atoms | 28 |
| Hydrogen atoms | 18 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
