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BI-6015

CAT: 0013-GTR19217468-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19217468-01Size:1 g
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Description
BI 6015 is an antagonist of HNF4α. HNF4α is a nuclear receptor that regulates gene expression in the intestine cells, liver cells, and pancreas-β cells.
CAS Number
93987-29-2
Product Name Alternative
BI 6015 | BI6015
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 50 mg/mL (150.90 mM)
Smiles
Cc1nc2ccccc2n1S (=O) (=O) c1cc (ccc1C) [N+] ([O-]) =O
Molecular Formula
C15H13N3O4S
Molecular Weight
331.35
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

BI6015
CAS Number93987-29-2
PubChem CID3269393
IUPAC Name2-methyl-1-(2-methyl-5-nitrophenyl)sulfonylbenzimidazole
Molecular FormulaC15H13N3O4S
Molecular Weight331.3
XLogP3.3
Topological Polar Surface Area106
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity556
SMILES
CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2C(=NC3=CC=CC=C32)C
InChI
InChI=1S/C15H13N3O4S/c1-10-7-8-12(18(19)20)9-15(10)23(21,22)17-11(2)16-13-5-3-4-6-14(13)17/h3-9H,1-2H3
InChIKey
ILVCPQPMRPHZSG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BI6015
CAS: 93987-29-2
CID: 3269393
Formula: C15H13N3O4S
MW: 331.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight331.3
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass331.06267708
Monoisotopic Mass331.06267708
Topological Polar Surface Area106 Ų
Heavy Atom Count23
Formal Charge0
Complexity556
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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