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BI-10

CAT: 0931-T62167-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T62167-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2759037-58-4
Target
Others, Antifungal
Related Pathways
Microbiology/Virology, Others
Bioactivity
BI-10 is an antifungal compound that, in combination with fluconazole, inhibits mycelial growth, accumulates ROS, reduces mitochondrial membrane potential (MMP) and alters membrane permeability.
Smiles
C(C=1C=2C(NC1)=CC=CC2)(C=3C=4C(NC3)=CC=CC4)C5=C(O)C(Br)=CC=C5
Molecular Formula
C23H17BrN2O
Molecular Weight
417.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Bromo-6-(di(1H-indol-3-yl)methyl)phenol
CAS Number2759037-58-4
PubChem CID163196463
IUPAC Name2-[bis(1H-indol-3-yl)methyl]-6-bromophenol
Molecular FormulaC23H17BrN2O
Molecular Weight417.3
XLogP5.9
Topological Polar Surface Area51.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity485
SMILES
C1=CC=C2C(=C1)C(=CN2)C(C3=C(C(=CC=C3)Br)O)C4=CNC5=CC=CC=C54
InChI
InChI=1S/C23H17BrN2O/c24-19-9-5-8-16(23(19)27)22(17-12-25-20-10-3-1-6-14(17)20)18-13-26-21-11-4-2-7-15(18)21/h1-13,22,25-27H
InChIKey
WCNNKLPTJGOEQP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-6-(di(1H-indol-3-yl)methyl)phenol
CAS: 2759037-58-4
CID: 163196463
Formula: C23H17BrN2O
MW: 417.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight417.3
XLogP35.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass416.05243
Monoisotopic Mass416.05243
Topological Polar Surface Area51.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity485
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