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Dynein2-IN-37

CAT: 1410-M12813Size: 1 EachDry Ice: NoHazardous: No
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Description
Dynein2-IN-37 (Ciliobrevin analog 37) is a potent, selective cytoplasmic dynein 2 ATPase activity antagonist with IC50 of 11 uM.
CAS Number
1823133-56-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
478.329
Molecular Formula
C25H17Cl2N3O3
Notes
Research use only, not for human use.
Receptor
Dynein

Chemical Information

Dynein2-IN-37
CAS Number1823133-56-7
PubChem CID155905326
IUPAC Name(Z)-3-(2,4-dichlorophenyl)-3-hydroxy-2-[7-[(4-methylphenyl)methoxy]-4-oxo-3H-quinazolin-2-yl]prop-2-enenitrile
Molecular FormulaC25H17Cl2N3O3
Molecular Weight478.3
XLogP5.2
Topological Polar Surface Area94.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity843
SMILES
CC1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=O)NC(=N3)/C(=C(/C4=C(C=C(C=C4)Cl)Cl)\O)/C#N
InChI
InChI=1S/C25H17Cl2N3O3/c1-14-2-4-15(5-3-14)13-33-17-7-9-19-22(11-17)29-24(30-25(19)32)20(12-28)23(31)18-8-6-16(26)10-21(18)27/h2-11,31H,13H2,1H3,(H,29,30,32)/b23-20-
InChIKey
QGJQPWVLFNCZKC-ATJXCDBQSA-N
Chemical Structure
2D Structure
2D structure of Dynein2-IN-37
CAS: 1823133-56-7
CID: 155905326
Formula: C25H17Cl2N3O3
MW: 478.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight478.3
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass477.0646968
Monoisotopic Mass477.0646968
Topological Polar Surface Area94.7 Ų
Heavy Atom Count33
Formal Charge0
Complexity843
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes