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BRD 9876

CAT: 1410-M14062-05Size: 1 gDry Ice: NoHazardous: No
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CAT#:1410-M14062-05Size:1 g
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Description
BRD 9876 is an ATP- and ADP-competitive Eg5 (kinesin-5) inhibitor with Ki of 4 nM.
CAS Number
32703-82-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
234.302
Molecular Formula
C16H14N2
Notes
Research use only, not for human use.
Receptor
Kinesin

Chemical Information

6-tert-Butyl-2,3-naphthalenedicarbonitrile

6-tert-butylnaphthalene-2,3-dicarbonitrile is a member of naphthalenes.

CAS Number32703-82-5
PubChem CID613000
IUPAC Name6-tert-butylnaphthalene-2,3-dicarbonitrile
Molecular FormulaC16H14N2
Molecular Weight234.29
XLogP4.3
Topological Polar Surface Area47.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity400
SMILES
CC(C)(C)C1=CC2=CC(=C(C=C2C=C1)C#N)C#N
InChI
InChI=1S/C16H14N2/c1-16(2,3)15-5-4-11-6-13(9-17)14(10-18)7-12(11)8-15/h4-8H,1-3H3
InChIKey
MKILROQBJOOZKC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-tert-Butyl-2,3-naphthalenedicarbonitrile
CAS: 32703-82-5
CID: 613000
Formula: C16H14N2
MW: 234.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.29
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass234.115698455
Monoisotopic Mass234.115698455
Topological Polar Surface Area47.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity400
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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CatalogName
254814BRD 9876

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