Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2799853217
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 | 37 USD | 95 | 14 working days | Get Quote |
| 5 mg | 37 USD | 95 | 14 working days | Get Quote |
| 10 mg | 37 USD | 95 | 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-2799853217.sdf |
| SMILES | MCULE-2799853217.smiles |
| Standard InChI | MCULE-2799853217.inchi |
| InChIKey | MCULE-2799853217.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875808818 | N/A | As is | in stock |
| P-612943195 | 95 | As is | in stock |
| P-903166507 | 95 | As is | 125 g |
| P-905491067 | 95 | As is | 100 g |
| P-893533401 | 90 | As is | 599.5 g |
| P-851503795 | N/A | As is | by synthesis |
| P-596473094 | 90 | As is | 161 mg |
| P-864185275 | 95 | As is | in stock |
| P-590833550 | 95 | As is | by synthesis |
| P-901478437 | 95 | As is | by synthesis |
| P-577179922 | 90 | As is | by synthesis |
| P-851240374 | 95 | As is | by synthesis |
| P-861276323 | 95 | As is | in stock |
| P-887967661 | 95 | As is | in stock |
| P-862024159 | 95 | As is | 125 g |
| P-590339117 | 90 | As is | 1000 mg |
| P-890216687 | 90 | As is | 1000 mg |
| P-596592385 | 90 | As is | 10 g |
| P-579666655 | 95 | As is | by resynthesis (? - ? days) |
| P-852387947 | N/A | As is | in stock |
| P-854854016 | 95 | As is | by synthesis |
| P-885517998 | 95 | As is | by synthesis |
| P-19840728 | 90 | As is | in stock |
| P-502334301 | 90 | As is | in stock |
| P-873063755 | 94 | As is | by resynthesis (? - ? days) |
| P-33517159 | 94 | As is | by resynthesis (? - ? days) |
| P-611431528 | 90 | As is | in stock |
| P-464675027 | 90 | As is | 1.001 g |
| P-2241244 | 90 | As is | 1.001 g |
| P-615399042 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 180.200 |
| logP | 1.6307 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 46.53 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 49.4448 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 12 |
| 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 |
