Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8555828075
Compound
Show structures
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 | 7 USD | 97 | 20 working days | Get Quote |
| 5 mg | 7 USD | 97 | 20 working days | Get Quote |
| 10 mg | 7 USD | 97 | 20 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-8555828075.sdf |
| SMILES | MCULE-8555828075.smiles |
| Standard InChI | MCULE-8555828075.inchi |
| InChIKey | MCULE-8555828075.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867563219 | 97 | As is | in stock |
| P-1275157267 | 95 | As is | in stock |
| P-1275198548 | 98 | As is | in stock |
| P-905480921 | 97 | As is | 10 g |
| P-610953811 | 90 | As is | 4.78532 kg |
| P-1270384971 | 98 | As is | in stock |
| P-617049632 | 95 | As is | by resynthesis (? - ? days) |
| P-606862904 | N/A | As is | in stock |
| P-489123081 | 97 | As is | in stock |
| P-596928080 | 97 | As is | 1000 g |
| P-494351829 | 95 | As is | 4.34 g |
| P-864087691 | 97 | As is | in stock |
| P-864134479 | 95 | As is | in stock |
| P-580718276 | 98 | As is | 284 g |
| P-893224710 | 95 | As is | in stock |
| P-851240151 | 95 | As is | by synthesis |
| P-861271972 | 95 | As is | in stock |
| P-868627470 | 98 | As is | in stock |
| P-868643987 | 98 | As is | in stock |
| P-905333931 | 97 | As is | 181 g |
| P-505538545 | 95 | As is | in stock |
| P-454399089 | 95 | As is | 198 mg |
| P-454312569 | 95 | As is | 198 mg |
| P-579620224 | 95 | As is | in stock |
| P-579637293 | 95 | As is | by resynthesis (? - ? days) |
| P-580512112 | 97 | As is | in stock |
| P-1272577156 | N/A | As is | 100 g |
| P-852434763 | N/A | As is | by synthesis |
| P-852519772 | 95 | As is | by synthesis |
| P-904073095 | 95 | As is | in stock |
| P-888857606 | N/A | As is | in stock |
| P-498677985 | 97 | As is | 2.6802 kg |
| P-502393492 | 90 | As is | in stock |
| P-611388022 | 90 | As is | in stock |
| P-615648799 | 95 | As is | unavailable |
| P-575299522 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 168.582 |
| logP | 1.7747 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 67.59 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 43.3031 |
| Atoms | 16 |
| Rings | 2 |
| Heavy atoms | 11 |
| Hydrogen atoms | 5 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
