Basic information
- CAS
40114-84-9- Standard SMILES
N#Cc1nc2c(nc1C#N)-c1ccccc1C2=O- InChIKey
HUWWIHVYVDAXCT-UHFFFAOYSA-N- Molecular formula
- C13H4N4O
- Average molar mass
- 232.2 g/mol
- Monoisotopic mass
- 232.03851075
Overview
inhibits ubiquitin-specific proteases; structure in first source
Names & identifiers
- Preferred name
- 9-oxo-9H-indeno(1,2-b)pyrazine-2,3-dicarbonitrile
- IUPAC
- 9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile
- English name
- 9H-Indeno[1,2-b]pyrazine-2,3-dicarbonitrile, 9-oxo-
- Molecular formula
- C13H4N4O
- Molecular weight
- 232.2
Names & synonyms
40114-84-99-Oxo-9H-indeno[1,2-b]pyrazine-2,3-dicarbonitrileDTXSID503035789-oxo-9h-indeno(1,2-b)pyrazine-2,3-dicarbonitrile9-oxo-IPDCRefChem:914791DTXCID70254710DCAF9H-Indeno[1,2-b]pyrazine-2,3-dicarbonitrile, 9-oxo-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrileMFCD03042397HBX
Show more names
CHEMBL4569978F1345-0623NSC159143C13H4N4Oorb1737657SCHEMBL1512485SCHEMBL30931160HUWWIHVYVDAXCT-UHFFFAOYSA-N
Database identifiers
- CAS
40114-84-9- PubChem CID
- 292929
- DTXSID
DTXSID50303578- ChEMBL
CHEMBL4569978
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 470
Physicochemical properties
- Boiling point
- 565 · 565.0±50.0 °C(Predicted)
- Density
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- form
- Solid
- pka
- -8.63 · -8.63±0.20(Predicted)
- color
- Light yellow to yellow
Chemistry & industry
Applications
UsesDCAF is an electron-deficient azaacene and acts as an electron injection material for organic light-emitting diodes[1].
Suppliers31 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
台州南峰药物研究所[email protected] 18616377689 · [email protected]
都创（上海）医药科技有限公司021-58099077 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
嘉兴市浙嘉生物科技有限公司0573-85609002 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
华阴市赛普生物科技有限公司13892502238 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
上海腾骞生物科技有限公司021-50895067 18616507272;13681616114;15020344067 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
常州英飒医药科技有限公司15151934985 · [email protected]
重庆卡兰医药有限公司[email protected]
上海皓元医药股份有限公司021-58950125 · [email protected]
山东明德生物技术有限公司15553348166 · [email protected]
淄博航宇生物科技发展有限公司+86-0533-2185556 +86-15965530500 · [email protected]
都创（上海）医药科技股份有限公司021-58099077-8041 18601625411 · [email protected]
Related reactions
7 records
Compound notes
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