Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1635103047
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 | 44 USD | 95 | 7 working days | Get Quote |
| 5 mg | 103 USD | 95 | 7 working days | Get Quote |
| 10 mg | 139 USD | N/A | 9 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-1635103047.sdf |
| SMILES | MCULE-1635103047.smiles |
| Standard InChI | MCULE-1635103047.inchi |
| InChIKey | MCULE-1635103047.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892880306 | N/A | As is | in stock |
| P-893618344 | 90 | As is | 1.846 g |
| P-901662603 | N/A | As is | in stock |
| P-865932071 | 98 | As is | 1000 mg |
| P-905466928 | 95 | As is | in stock |
| P-887325538 | 95 | As is | by synthesis |
| P-888622432 | 95 | As is | 100 mg |
| P-895894812 | 95 | As is | in stock |
| P-584624724 | 95 | As is | in stock |
| P-888174259 | 98 | As is | by synthesis |
| P-869140608 | 95 | As is | by synthesis |
| P-892292690 | 95 | As is | 502 mg |
| P-888646547 | 95 | As is | 502 mg |
| P-855066723 | 90 | As is | in stock |
| P-868529776 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 321.329 |
| logP | 2.8842 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 69.14 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 92.1807 |
| Atoms | 39 |
| Rings | 4 |
| Heavy atoms | 24 |
| Hydrogen atoms | 15 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
