Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2727193030-0
Structure
Show compound
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-6081728667-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2727193030-0.sdf |
| SMILES | MCULE-2727193030-0.smiles |
| Standard InChI | MCULE-2727193030-0.inchi |
| InChIKey | MCULE-2727193030-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867606533 | 97 | As is | in stock |
| P-875764975 | N/A | As is | in stock |
| P-590401665 | 98 | As is | in stock |
| P-903102145 | 98 | As is | 100 g |
| P-893531641 | 90 | As is | 357.072 g |
| P-580240446 | 95 | As is | by synthesis |
| P-606896189 | N/A | As is | in stock |
| P-489144392 | 97 | As is | in stock |
| P-596961107 | 97 | As is | 90 g |
| P-494331474 | 95 | As is | by resynthesis (? - ? days) |
| P-864099852 | 95 | As is | in stock |
| P-580716181 | 97 | As is | 5.35 g |
| P-901461294 | 95 | As is | by synthesis |
| P-851253247 | 95 | As is | by synthesis |
| P-861277556 | 95 | As is | in stock |
| P-868599981 | 97 | As is | in stock |
| P-905342028 | 98 | As is | 18.75 g |
| P-862016925 | 98 | As is | 18.75 g |
| P-502953329 | 90 | As is | in stock |
| P-500155061 | 96 | As is | in stock |
| P-524183485 | 95 | As is | 10 g |
| P-579624383 | 95 | As is | 25 g |
| P-601051027 | 90 | As is | 814 mg |
| P-14059225 | 95 | As is | 814 mg |
| P-852488567 | N/A | As is | in stock |
| P-428011924 | 95 | As is | 1.017 kg |
| P-854735015 | 95 | As is | in stock |
| P-888859625 | N/A | As is | in stock |
| P-889876274 | 95 | As is | by synthesis |
| P-498705487 | 95 | As is | 57.7 g |
| P-906752065 | 98 | As is | by synthesis |
| P-611557807 | 90 | As is | in stock |
| P-893940491 | 95 | As is | in stock |
| P-860642857 | N/A | As a main component | by synthesis |
| P-901285422 | N/A | As a main component | in stock |
| P-869338164 | 95 | As a main component | in stock |
| P-851855418 | N/A | As a main component | by synthesis |
| P-591014729 | 97 | As a main component | by synthesis |
| P-851295132 | 95 | As a main component | by synthesis |
| P-868574145 | 97 | As a main component | in stock |
| P-580308288 | 95 | As a main component | by resynthesis (? - ? days) |
| P-500155062 | 96 | As a main component | in stock |
| P-579627344 | 95 | As a main component | 25 g |
| P-854937763 | 95 | As a main component | by synthesis |
| P-611473159 | 90 | As a main component | in stock |
| P-615462833 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 112.130 |
| logP | -0.0876 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 38.05 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 29.6168 |
| Atoms | 16 |
| Rings | 1 |
| Heavy atoms | 8 |
| Hydrogen atoms | 8 |
| 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 |
