Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5012914986-0
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 | 5 USD | 98 | 8 working days | Get Quote |
| 5 mg | 5 USD | 98 | 8 working days | Get Quote |
| 10 mg | 5 USD | 98 | 8 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-5012914986-0.sdf |
| SMILES | MCULE-5012914986-0.smiles |
| Standard InChI | MCULE-5012914986-0.inchi |
| InChIKey | MCULE-5012914986-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867575181 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875735511 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-597024746 | AEchem | Building blocks | 95 | As is | in stock |
| P-869192553 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505397954 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-903065345 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 175 g |
| P-580199947 | Aldlab Chemicals | Building Block Stock | 95 | As is | 750 mg |
| P-606911962 | AmBeed | In stock | N/A | As is | in stock |
| P-489192157 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596950778 | Angene | Building Blocks in stock | 98 | As is | 300 g |
| P-494327804 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864089883 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580727743 | BLD pharm | In-stock building blocks | 98 | As is | 101.1 g |
| P-577187643 | ChemDiv | Discovery Chemistry Library | 90 | As is | 5 mg |
| P-37537 | Chemical Block | Screening Library | 90 | As is | unavailable |
| P-851248429 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868645093 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-889114285 | FluoroChem | In Stock BB | N/A | As is | 10 g |
| P-494299711 | Frinton Laboratories | Frinton Building Blocks | 98 | As is | in stock |
| P-505535348 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-502459223 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-454421173 | Key Organics | Building Blocks | 95 | As is | 5 g |
| P-856007051 | Key Organics | Screening Compounds and Fragments | 95 | As is | 100 mg |
| P-31258253 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-500222730 | LeadGen Labs | In-stock compounds | 100 | As is | in stock |
| P-613280289 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
| P-852433487 | Matrix Scientific | All | N/A | As is | in stock |
| P-854747313 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-896073118 | Specs | Repurposed Compounds | N/A | As is | 7.645 g |
| P-596791780 | Synthonix | In-stock Building Blocks | 98 | As is | 282.7 g |
| P-502327175 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-855226375 | Toronto Research | In stock | 90 | As is | in stock |
| P-615398183 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 261.445 |
| logP | 5.7425 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 26.02 |
| RO5 violations | 1 |
| RO3 violations | 1 |
| Refractivity | 88.6564 |
| Atoms | 50 |
| Rings | 1 |
| Heavy atoms | 19 |
| Hydrogen atoms | 31 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| 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 |
