Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6781114249
Compound
Show structures
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 | 27 USD | 98 | 16 working days | Get Quote |
| 5 mg | 27 USD | 98 | 16 working days | Get Quote |
| 10 mg | 27 USD | 98 | 16 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-9778220891
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-6781114249.sdf |
| SMILES | MCULE-6781114249.smiles |
| Standard InChI | MCULE-6781114249.inchi |
| InChIKey | MCULE-6781114249.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-869188915 | 95 | As is | in stock |
| P-869250436 | 99 | As is | in stock |
| P-505395492 | 98 | As is | in stock |
| P-1264053319 | 95 | As is | in stock |
| P-489124420 | 97 | As is | in stock |
| P-864266786 | 98 | As is | by synthesis |
| P-893231954 | 95 | As is | in stock |
| P-871217981 | 95 | As is | by synthesis |
| P-868622363 | 98 | As is | in stock |
| P-675211803 | 95 | As is | in stock |
| P-488556100 | 92 | As is | in stock |
| P-524167631 | 98 | As is | 499 mg |
| P-855993103 | 98 | As is | 499 mg |
| P-580482374 | 95 | As is | by synthesis |
| P-852603515 | N/A | As is | in stock |
| P-899988713 | 95 | As is | by synthesis |
| P-854690623 | 95 | As is | in stock |
| P-619673239 | 98 | As is | in stock |
| P-500411703 | 95 | As is | by synthesis |
| P-889870502 | 95 | As is | by synthesis |
| P-617403165 | N/A | As is | in stock |
| P-873213272 | 90 | As is | in stock |
| P-22488214 | 90 | As is | 1000 mg |
| P-611401413 | 90 | As is | in stock |
| P-867525312 | N/A | As a main component | by synthesis |
| P-855046147 | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 203.244 |
| logP | 1.804 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 66.49 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 59.7434 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 13 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
