Basic information
- CAS
219138-24-6- Standard SMILES
O=c1c(-c2ccc(F)cc2)c(-c2ccncc2)[nH]n1-c1ccc(Cl)cc1- InChIKey
DZFBYHUKZSRPHU-UHFFFAOYSA-N- Molecular formula
- C20H13ClFN3O
- Average molar mass
- 365.8 g/mol
- Monoisotopic mass
- 365.0731179
Names & identifiers
- Preferred name
- 2-(4-Chlorophenyl)-4-(4-fluorophenyl)-1,2-dihydro-5-(4-pyridinyl)-3H-pyrazol-3-one
- IUPAC
- 2-(4-chlorophenyl)-4-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrazol-3-one
- English name
- 2-(4-Chlorophenyl)-4-(4-fluorophenyl)-5-pyridin-4-yl-1,2-dihydropyrazol-3-one
- Molecular formula
- C20H13ClFN3O
- Molecular weight
- 365.79
Names & synonyms
p38 MAP Kinase Inhibitor219138-24-635PZD2YS672-(4-chlorophenyl)-4-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydro-1H-pyrazol-3-one2-(4-CHLOROPHENYL)-4-(4-FLUOROPHENYL)-1,2-DIHYDRO-5-(4-PYRIDINYL)-3H-PYRAZOL-3-ONERefChem:1061211p38 MAPK Inhibitorp38 MAPK-IN-42-(4-chlorophenyl)-4-(4-fluorophenyl)-5-(pyridin-4-yl)-1,2-dihydro-3h-pyrazol-3-one2-(4-chlorophenyl)-4-(4-fluorophenyl)-5-pyridin-4-yl-1H-pyrazol-3-one2-(4-Chlorophenyl)-4-(4-fluorophenyl)-5-pyridin-4-yl-1,2-dihydropyrazol-3-onecompound 6 [PMID: 9873604]
Show more names
p-38 MAPK Inhibitor,p38 MAPK Inhibitorp38 MAP Kinase Inhibitor, p38 MAPK inhibitor2-(4-CHLOROPHENYL)-4-(FLUOROPHENYL)-5-PYRIDIN-4-YL-1,2-DIHYDROPYRAZOL-3-ONE3H-Pyrazol-3-one, 2-(4-chlorophenyl)-4-(4-fluorophenyl)-1,2-dihydro-5-(4-pyridinyl)-
C20H13ClFN3OCHEMBL91730SCHEMBL284480CHEMBL408678GTPL6013orb1694119HMS3229M06BDBM50071907
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 547
Physicochemical properties
- Boiling point
- 534.1 · 534.1±60.0 °C(Predicted)
- Density
- 1.388 · 1.388±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- solubility
- 5 mg/ml; · DMF: 5 mg/ml; DMSO: 5 mg/ml; DMSO:PBS(pH7.2) (1:1): 0.5 mg/ml; Ethanol: 0.3 mg/ml
- form
- A crystalline solid
- pka
- 6.61 · 6.61±0.10(Predicted)
- color
- Light yellow to yellow
- InChI
- 1S/C20H13ClFN3O/c21-15-3-7-17(8-4-15)25-20(26)18(13-1-5-16(22)6-2-13)19(24-25)14-9-11-23-12-10-14/h1-12,24H
- InChIKey
- DZFBYHUKZSRPHU-UHFFFAOYSA-N
- UNSPSC Code
- 12352200 · 12352200
- WGK Germany
- 1 · WGK 1
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 1
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Usesp38 MAPK-IN-4 (compound 6) is a p38 MAPK inhibitor with an 50 of 35 nM[1].
Suppliers17 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]
Aladdin Scientific[email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
Shaanxi Dideu New Materials Co. Ltd
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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