Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4977129977
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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 14 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-4977129977.sdf |
| SMILES | MCULE-4977129977.smiles |
| Standard InChI | MCULE-4977129977.inchi |
| InChIKey | MCULE-4977129977.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867575382 | 98 | As is | in stock |
| P-875734746 | N/A | As is | in stock |
| P-869192455 | 95 | As is | in stock |
| P-590357118 | 98 | As is | in stock |
| P-903064417 | 98 | As is | 1.5 kg |
| P-606938807 | N/A | As is | in stock |
| P-489160985 | 97 | As is | in stock |
| P-596950587 | 98 | As is | 6.5 kg |
| P-895922590 | 95 | As is | by resynthesis (? - ? days) |
| P-864174844 | 95 | As is | in stock |
| P-590610025 | 98 | As is | 1.155 kg |
| P-871217734 | 95 | As is | by synthesis |
| P-870585096 | 98 | As is | in stock |
| P-580426435 | 95 | As is | by resynthesis (? - ? days) |
| P-881677785 | N/A | As is | by resynthesis (? - ? days) |
| P-905343542 | 95 | As is | 600 g |
| P-862021450 | 95 | As is | 7.2163 kg |
| P-505531273 | 95 | As is | in stock |
| P-900319799 | 95 | As is | by synthesis |
| P-596565835 | 97 | As is | 100 g |
| P-852462541 | N/A | As is | in stock |
| P-855397925 | 95 | As is | in stock |
| P-34030301 | 90 | As is | 50 mg |
| P-617692283 | 95 | As is | 89 mg |
| P-888905924 | N/A | As is | in stock |
| P-1263958516 | 90 | As is | in stock |
| P-868795215 | 95 | As is | by synthesis |
| P-596774673 | 98 | As is | 1.26 kg |
| P-873212538 | 90 | As is | in stock |
| P-33172887 | 90 | As is | 5 mg |
| P-906777459 | 98 | As is | by synthesis |
| P-611351281 | 90 | As is | in stock |
| P-590445308 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 179.180 |
| logP | -0.018 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 89.85 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 46.9582 |
| Atoms | 22 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 9 |
| 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 |
