WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H465359
CAS#: unknown
Description: D264-0698 is a novel ERK2 inhibitor.
Hodoodo Cat#: H465359
Name: D264-0698
CAS#: unknown
Chemical Formula: C23H28ClN3O3
Exact Mass: 429.18
Molecular Weight: 429.945
Elemental Analysis: C, 64.25; H, 6.56; Cl, 8.25; N, 9.77; O, 11.16
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Synonym: D264-0698; D2640698; D264 0698;
IUPAC/Chemical Name: ethyl 3-(3-((1-(3-chlorobenzyl)piperidin-4-yl)methyl)ureido)benzoate
InChi Key: QGIGKUWZGWTTIU-UHFFFAOYSA-N
InChi Code: InChI=1S/C23H28ClN3O3/c1-2-30-22(28)19-6-4-8-21(14-19)26-23(29)25-15-17-9-11-27(12-10-17)16-18-5-3-7-20(24)13-18/h3-8,13-14,17H,2,9-12,15-16H2,1H3,(H2,25,26,29)
SMILES Code: ClC1=CC=CC(CN2CCC(CNC(NC3=CC=CC(C(OCC)=O)=C3)=O)CC2)=C1
Appearance: Solid powder
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: To be determined
Shelf Life: >2 years if stored properly
Drug Formulation: To be determined
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
More Info:
Biological target: | |
In vitro activity: | |
In vivo activity: |
The following data is based on the product molecular weight 429.95 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
---|---|---|---|
1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
Formulation protocol: | |
In vitro protocol: | |
In vivo protocol: |
1: Yang L, Yang G, Chen X, Yang Q, Yao X, Bing Z, Niu Y, Huang L, Yang L. Deep Scoring Neural Network Replacing the Scoring Function Components to Improve the Performance of Structure-Based Molecular Docking. ACS Chem Neurosci. 2021 Jun 16;12(12):2133-2142. doi: 10.1021/acschemneuro.1c00110. Epub 2021 Jun 3. PMID: 34081851.