Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4638303671
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 | 24 USD | 98 | 22 working days | Get Quote |
| 5 mg | 24 USD | 98 | 22 working days | Get Quote |
| 10 mg | 24 USD | 98 | 22 working days | Get Quote |
- 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-4638303671.sdf |
| SMILES | MCULE-4638303671.smiles |
| Standard InChI | MCULE-4638303671.inchi |
| InChIKey | MCULE-4638303671.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867553655 | 98 | As is | in stock |
| P-875712841 | 98 | As is | in stock |
| P-597025440 | 95 | As is | unavailable |
| P-1275157272 | 95 | As is | in stock |
| P-1275198538 | 98 | As is | in stock |
| P-580239111 | 95 | As is | by synthesis |
| P-489138127 | 97 | As is | in stock |
| P-864093281 | 99 | As is | in stock |
| P-868642713 | 98 | As is | in stock |
| P-580425897 | 95 | As is | by resynthesis (? - ? days) |
| P-870660212 | N/A | As is | in stock |
| P-505491470 | 95 | As is | in stock |
| P-454416795 | 97 | As is | 144 mg |
| P-454351171 | 97 | As is | 144 mg |
| P-580511674 | 95 | As is | in stock |
| P-500384401 | 98 | As is | by synthesis |
| P-885546540 | 95 | As is | by synthesis |
| P-896085514 | N/A | As is | 92.497 g |
| P-502332003 | 90 | As is | in stock |
| P-611378924 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 188.650 |
| logP | 4.007 |
| H-bond acceptors | 0 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 0.0 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 56.888 |
| Atoms | 22 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 9 |
| Heteroatoms | 1 |
| N/O atoms | 0 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
