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OptoBI-1

CAT: 0931-T37698-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T37698-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2415272-11-4
Target
Others, TRP/TRPV Channel
Related Pathways
Others, Membrane transporter/Ion channel
Bioactivity
OptoBI-1 is a light-sensitive molecule that is photochromic TRPC3 agonist. OptoBI-1 asts as a photopharmacological tool to control of neuronal firing [1].
Smiles
O=C1N(C=2C(N1)=CC=CC2)C3CCN(C(CCCC4=CC=C(N=NC5=CC=C(CCCC)C=C5)C=C4)=O)CC3
Molecular Formula
C32H37N5O2
Molecular Weight
523.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

OptoBI-1
CAS Number2415272-11-4
PubChem CID146018968
IUPAC Name3-[1-[4-[4-[(4-butylphenyl)diazenyl]phenyl]butanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
Molecular FormulaC32H37N5O2
Molecular Weight523.7
XLogP7.3
Topological Polar Surface Area77.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count39
Formal Charge0
Complexity809
SMILES
CCCCC1=CC=C(C=C1)N=NC2=CC=C(C=C2)CCCC(=O)N3CCC(CC3)N4C5=CC=CC=C5NC4=O
InChI
InChI=1S/C32H37N5O2/c1-2-3-7-24-12-16-26(17-13-24)34-35-27-18-14-25(15-19-27)8-6-11-31(38)36-22-20-28(21-23-36)37-30-10-5-4-9-29(30)33-32(37)39/h4-5,9-10,12-19,28H,2-3,6-8,11,20-23H2,1H3,(H,33,39)
InChIKey
LUASQYYRQCWOMA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of OptoBI-1
CAS: 2415272-11-4
CID: 146018968
Formula: C32H37N5O2
MW: 523.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.7
XLogP37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass523.29472544
Monoisotopic Mass523.29472544
Topological Polar Surface Area77.4 Ų
Heavy Atom Count39
Formal Charge0
Complexity809
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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