Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8842801586
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 | 71 USD | 90 | 10 working days | Get Quote |
| 5 mg | 78 USD | 90 | 12 working days | Get Quote |
| 10 mg | 78 USD | 90 | 12 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-2072057680
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8842801586.sdf |
| SMILES | MCULE-8842801586.smiles |
| Standard InChI | MCULE-8842801586.inchi |
| InChIKey | MCULE-8842801586.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867302932 | 95 | As is | by synthesis |
| P-875786952 | N/A | As is | in stock |
| P-613851480 | 95 | As is | in stock |
| P-866098998 | 95 | As is | 1.5 g |
| P-896060969 | N/A | As is | in stock |
| P-489214980 | 97 | As is | in stock |
| P-494329138 | 95 | As is | by resynthesis (? - ? days) |
| P-905459524 | 95 | As is | in stock |
| P-901452217 | 95 | As is | by synthesis |
| P-492247080 | 95 | As is | in stock |
| P-454636283 | 90 | As is | in stock |
| P-436452057 | 95 | As is | in stock |
| P-861491664 | 95 | As is | by synthesis |
| P-580415178 | 95 | As is | by resynthesis (? - ? days) |
| P-579474792 | 90 | As is | 100 mg |
| P-852396215 | N/A | As is | in stock |
| P-519759076 | 97 | As is | 256.2 g |
| P-428054089 | 97 | As is | 256.2 kg |
| P-873217849 | 90 | As is | in stock |
| P-611604631 | 90 | As is | in stock |
| P-905524363 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 218.338 |
| logP | 2.538 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 29.26 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 72.4614 |
| Atoms | 38 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 22 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
