4-(4-Carbamoylphenoxy)benzamide
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Basic information
- CAS
6336-34-1- Standard SMILES
NC(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1- InChIKey
XZRCQWLPMXFGHE-UHFFFAOYSA-N- Molecular formula
- C14H12N2O3
- Average molar mass
- 256.26 g/mol
- Monoisotopic mass
- 256.08479225
Names & identifiers
- Preferred name
- 4-(4-Carbamoylphenoxy)benzamide
- IUPAC
- 4-(4-carbamoylphenoxy)benzamide
- English name
- 4,4'-Oxybis[benzamide]
- Molecular formula
- C14H12N2O3
- Molecular weight
- 256.26
Names & synonyms
6336-34-1OUL354,4'-oxydibenzamide4-(4-carbamoylphenoxy)benzamideOUL 354,4'-Oxybis[benzamide]MLS0007369924-(4-aminocarbonylphenoxy)benzamideMFCD00437390NSC390474,4'-Oxy-bis(benZamide)Oprea1_001354
Show more names
OUL35 >=98% (HPLC)OUL35, 10 mM in DMSOBenzamide, 4,4'-oxybis-4,4'-Oxydibenzamide , OUL354,4'-Oxydibenzamide , OUL35
IFLab1_001185orb1217786orb1298436OUL-35SCHEMBL3137816CHEMBL1438938GTPL13119DTXSID10284793
Database identifiers
- CAS
6336-34-1- PubChem CID
- 236501
- DTXSID
DTXSID10284793- ChEMBL
CHEMBL1438938
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 95.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Boiling point
- 488.8 · 488.8±30.0 °C(Predicted)
- Density
- 1.298 · 1.298±0.06 g/cm3(Predicted)
- storage temp.
- 4 °C, · 4°C, protect from light
- solubility
- 5 mg/ml; · DMF: 5 mg/ml; DMSO: 30 mg/ml; DMSO:PBS (pH 7.2) (1:4): 0.20 mg/ml
- form
- A crystalline solid
- pka
- 15.76 · 15.76±0.50(Predicted)
- color
- White to off-white
- InChI
- 1S/C14H12N2O3/c15-13(17)9-1-5-11(6-2-9)19-12-7-3-10(4-8-12)14(16)18/h1-8H,(H2,15,17)(H2,16,18)
- InChIKey
- XZRCQWLPMXFGHE-UHFFFAOYSA-N
- SMILES
- O=C(N)C1=CC=C(OC2=CC=C(C(N)=O)C=C2)C=C1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- WGK Germany
- 3 · WGK 3
- 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 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesOUL35 (NSC39047) is a potent and selective inhibitor of ARTD10 (PARP-10), with an IC50 of 329 nM[1].
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
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Compound notes
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