Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1996817837
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 | 78 USD | 98 | 22 working days | Get Quote |
| 5 mg | 78 USD | 98 | 22 working days | Get Quote |
| 10 mg | 78 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.
-
MCULE-9370299263
- Component type: Unknown
| Name | File |
|---|---|
| SDF | MCULE-1996817837.sdf |
| SMILES | MCULE-1996817837.smiles |
| Standard InChI | MCULE-1996817837.inchi |
| InChIKey | MCULE-1996817837.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872831739 | 98 | As is | in stock |
| P-875688502 | 98 | As is | in stock |
| P-590355800 | 95 | As is | by resynthesis (? - ? days) |
| P-903008550 | 98 | As is | 1.3 g |
| P-905478850 | 95 | As is | 10 g |
| P-893537129 | 90 | As is | 18.54 g |
| P-851532666 | N/A | As is | by synthesis |
| P-489218335 | 97 | As is | in stock |
| P-619166351 | 97 | As is | 1.2 g |
| P-589662150 | 95 | As is | by resynthesis (? - ? days) |
| P-864111976 | 97 | As is | in stock |
| P-590795503 | 95 | As is | by synthesis |
| P-870587031 | 97 | As is | in stock |
| P-862010576 | 97 | As is | 1.3 g |
| P-505526290 | 95 | As is | in stock |
| P-502588622 | 95 | As is | by synthesis |
| P-563392178 | 97 | As is | 250 mg |
| P-860796952 | 95 | As is | in stock |
| P-852598916 | N/A | As is | by synthesis |
| P-854786890 | 95 | As is | by synthesis |
| P-870518581 | 95 | As is | 4.2 g |
| P-906878190 | 98 | As is | by synthesis |
| P-611387107 | 90 | As is | in stock |
| P-611497200 | 90 | As is | in stock |
| P-666984900 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 145.161 |
| logP | 1.7932 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 51.8 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 43.9424 |
| Atoms | 18 |
| Rings | 2 |
| Heavy atoms | 11 |
| Hydrogen atoms | 7 |
| 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 |
