Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3745977117
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 | 11 USD | 98 | 20 working days | Get Quote |
| 5 mg | 11 USD | 98 | 20 working days | Get Quote |
| 10 mg | 11 USD | 98 | 20 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-3745977117.sdf |
| SMILES | MCULE-3745977117.smiles |
| Standard InChI | MCULE-3745977117.inchi |
| InChIKey | MCULE-3745977117.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867559758 | 97 | As is | in stock |
| P-875719812 | N/A | As is | in stock |
| P-580454126 | 95 | As is | in stock |
| P-869183561 | 95 | As is | in stock |
| P-505400492 | 98 | As is | in stock |
| P-903048706 | 98 | As is | 25 g |
| P-893487237 | 90 | As is | 117.567 g |
| P-901168311 | 98 | As is | in stock |
| P-580253766 | 95 | As is | by synthesis |
| P-606853981 | N/A | As is | in stock |
| P-596944874 | 98 | As is | 20 g |
| P-494349814 | 95 | As is | 950 mg |
| P-864090831 | 97 | As is | in stock |
| P-580697001 | 97 | As is | 1.25 g |
| P-868651320 | 98 | As is | in stock |
| P-580427235 | 95 | As is | by resynthesis (? - ? days) |
| P-905335764 | 97 | As is | 1.25 g |
| P-861980540 | 97 | As is | 56.187 g |
| P-454329000 | 90 | As is | 64 mg |
| P-615649439 | 95 | As is | in stock |
| P-852450997 | N/A | As is | in stock |
| P-519752000 | 95 | As is | 4 g |
| P-428012296 | 95 | As is | 874 g |
| P-889865498 | 95 | As is | by synthesis |
| P-596788281 | 97 | As is | 62.5 g |
| P-502360938 | 90 | As is | in stock |
| P-906770008 | 98 | As is | by synthesis |
| P-611379140 | 90 | As is | in stock |
| P-615450273 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 199.205 |
| logP | 2.4468 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 50.19 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 56.6323 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 9 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
