Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1700935161
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 | 7 USD | 98 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 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.
-
MCULE-9990457253
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1700935161.sdf |
| SMILES | MCULE-1700935161.smiles |
| Standard InChI | MCULE-1700935161.inchi |
| InChIKey | MCULE-1700935161.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867585350 | 95 | As is | in stock |
| P-875743488 | N/A | As is | in stock |
| P-590369224 | 95 | As is | in stock |
| P-903073800 | 98 | As is | 400 g |
| P-893518064 | 90 | As is | 913.491 g |
| P-596953955 | 98 | As is | 200 g |
| P-864088928 | 97 | As is | in stock |
| P-1263577369 | 95 | As is | by synthesis |
| P-851309435 | 95 | As is | by synthesis |
| P-868649204 | 95 | As is | in stock |
| P-862035457 | 97 | As is | 504.965 g |
| P-905347458 | 97 | As is | 12 g |
| P-889116515 | 97 | As is | 250 mg |
| P-870648845 | N/A | As is | in stock |
| P-870648847 | 97 | As is | in stock |
| P-596577152 | 97 | As is | 1000 mg |
| P-563565199 | 95 | As is | 1000 mg |
| P-524197293 | 97 | As is | 25 g |
| P-615638099 | 95 | As is | in stock |
| P-31175133 | 90 | As is | unavailable |
| P-1263155382 | 95 | As is | by synthesis |
| P-863732442 | 95 | As is | in stock |
| P-878647073 | 98 | As is | in stock |
| P-885540871 | 95 | As is | by synthesis |
| P-505618664 | 95 | As is | in stock |
| P-869125807 | 95 | As is | by synthesis |
| P-892290800 | 95 | As is | unavailable |
| P-888639301 | 95 | As is | unavailable |
| P-502338019 | 90 | As is | in stock |
| P-33163064 | 90 | As is | 1000 mg |
| P-611615550 | 90 | As is | in stock |
| P-611420007 | 90 | As is | in stock |
| P-611528177 | 90 | As is | in stock |
| P-3247314 | 90 | As is | unavailable |
| P-893981182 | 95 | As is | in stock |
| P-575317830 | 95 | As is | in stock |
| P-893090986 | N/A | As a main component | by synthesis |
| P-869258426 | 95 | As a main component | in stock |
| P-502580600 | 95 | As a main component | by synthesis |
| P-895573495 | 95 | As a main component | by synthesis |
| P-33224676 | 90 | As a main component | in stock |
| P-893842615 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 195.215 |
| logP | 1.437 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 83.55 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 52.3692 |
| Atoms | 27 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 13 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
