Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9963141033
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 | 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.
-
MCULE-4947700832
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9963141033.sdf |
| SMILES | MCULE-9963141033.smiles |
| Standard InChI | MCULE-9963141033.inchi |
| InChIKey | MCULE-9963141033.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867558588 | 98 | As is | in stock |
| P-875718159 | N/A | As is | in stock |
| P-869191549 | 95 | As is | in stock |
| P-590415860 | 98 | As is | in stock |
| P-903046850 | 99 | As is | 3.5 kg |
| P-606930199 | N/A | As is | in stock |
| P-596944327 | 98 | As is | 3.5 kg |
| P-589657138 | 95 | As is | by resynthesis (? - ? days) |
| P-889468672 | 95 | As is | by synthesis |
| P-590596819 | 98 | As is | 25 g |
| P-34912380 | 90 | As is | in stock |
| P-868607517 | 97 | As is | in stock |
| P-580273656 | 95 | As is | by resynthesis (? - ? days) |
| P-889283809 | 98 | As is | 4.94775 kg |
| P-502590683 | 90 | As is | in stock |
| P-596570307 | 97 | As is | 25 g |
| P-870640235 | 97 | As is | 100 mg |
| P-580497828 | 95 | As is | by synthesis |
| P-584621497 | 95 | As is | in stock |
| P-1263959005 | 90 | As is | in stock |
| P-889865241 | 95 | As is | by synthesis |
| P-18855071 | 90 | As is | in stock |
| P-22811128 | 90 | As is | in stock |
| P-888470802 | 94 | As is | by resynthesis (? - ? days) |
| P-906769403 | 99 | As is | by synthesis |
| P-615403385 | 95 | As is | in stock |
| P-617187530 | 90 | As a main component | in stock |
| P-675096261 | 90 | As a main component | in stock |
| P-33291106 | 90 | As a main component | in stock |
| P-903769171 | 94 | As a main component | by resynthesis (? - ? days) |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 151.162 |
| logP | 1.9379 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 38.33 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 42.2287 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 11 |
| 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 |
