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IC-87201

CAT: 1410-M16299-01Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M16299-01Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A small molecule inhibitor of PSD-95/nNOS interaction with IC50 of 31 uM.
CAS Number
866927-10-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
309.1507
Molecular Formula
C13H10Cl2N4O
Notes
Research use only, not for human use.
Receptor
NOS

Chemical Information

2-[(1H-Benzotriazol-6-ylamino)methyl]-4,6-dichloro-phenol
CAS Number866927-10-8
PubChem CID11771269
IUPAC Name2-[(2H-benzotriazol-5-ylamino)methyl]-4,6-dichlorophenol
Molecular FormulaC13H10Cl2N4O
Molecular Weight309.15
XLogP3.4
Topological Polar Surface Area73.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity335
SMILES
C1=CC2=NNN=C2C=C1NCC3=C(C(=CC(=C3)Cl)Cl)O
InChI
InChI=1S/C13H10Cl2N4O/c14-8-3-7(13(20)10(15)4-8)6-16-9-1-2-11-12(5-9)18-19-17-11/h1-5,16,20H,6H2,(H,17,18,19)
InChIKey
QEHVTUCLCBXQIC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[(1H-Benzotriazol-6-ylamino)methyl]-4,6-dichloro-phenol
CAS: 866927-10-8
CID: 11771269
Formula: C13H10Cl2N4O
MW: 309.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight309.15
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass308.0231663
Monoisotopic Mass308.0231663
Topological Polar Surface Area73.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity335
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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