Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4963625699
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 | 70 USD | 95 | 7 working days | Get Quote |
| 5 mg | 146 USD | 95 | 7 working days | Get Quote |
| 10 mg | 194 USD | 95 | 42 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-4963625699.sdf |
| SMILES | MCULE-4963625699.smiles |
| Standard InChI | MCULE-4963625699.inchi |
| InChIKey | MCULE-4963625699.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-890152143 | N/A | As is | in stock |
| P-893607249 | 90 | As is | 600 mg |
| P-851705195 | N/A | As is | by synthesis |
| P-596994286 | N/A | As is | 200 mg |
| P-1273263598 | 95 | As is | by resynthesis (? - ? days) |
| P-869396019 | 95 | As is | by synthesis |
| P-890231442 | 99 | As is | by synthesis |
| P-901567826 | 95 | As is | by synthesis |
| P-851266459 | 95 | As is | by synthesis |
| P-675215357 | 95 | As is | in stock |
| P-1273109347 | 95 | As is | 100 mg |
| P-895188880 | 95 | As is | by synthesis |
| P-871072078 | 95 | As is | in stock |
| P-888174330 | 98 | As is | by synthesis |
| P-892293386 | 95 | As is | unavailable |
| P-869152426 | 95 | As is | 101 mg |
| P-888651263 | 95 | As is | 101 mg |
| P-611388054 | 90 | As is | in stock |
| P-615656113 | 95 | As is | unavailable |
| P-615414519 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 362.309 |
| logP | 3.1157 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 84.21 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 86.8039 |
| Atoms | 39 |
| Rings | 4 |
| Heavy atoms | 26 |
| Hydrogen atoms | 13 |
| Heteroatoms | 10 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
