Products for Research Use Only
RegisterLogin

NiCur

CAT: 0013-GTR19187571-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19187571-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
NiCur
CAS Number
2674753-39-8
Field of Research
Cell Biology, Epigenetics & Chromatin, Molecular Biology, Protein Biochemistry
Purity
99.22% (May vary between batches)
Solubility
DMSO:40 mg/mL (123.31 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (3.08 mM)
Smiles
C (=C\1/C (=O) \C (=C\C2=CC (C#N) =CC=C2) \CCC1) \C3=CC (C#N) =CC=C3
Molecular Formula
C22H16N2O
Molecular Weight
324.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

NiCur
CAS Number2674753-39-8
PubChem CID12374020
IUPAC Name3-[(E)-[(3E)-3-[(3-cyanophenyl)methylidene]-2-oxocyclohexylidene]methyl]benzonitrile
Molecular FormulaC22H16N2O
Molecular Weight324.4
XLogP4.5
Topological Polar Surface Area64.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity613
SMILES
C1C/C(=C\C2=CC(=CC=C2)C#N)/C(=O)/C(=C/C3=CC(=CC=C3)C#N)/C1
InChI
InChI=1S/C22H16N2O/c23-14-18-6-1-4-16(10-18)12-20-8-3-9-21(22(20)25)13-17-5-2-7-19(11-17)15-24/h1-2,4-7,10-13H,3,8-9H2/b20-12+,21-13+
InChIKey
LENALXRGKSPEKI-ZIOPAAQOSA-N
Chemical Structure
2D Structure
2D structure of NiCur
CAS: 2674753-39-8
CID: 12374020
Formula: C22H16N2O
MW: 324.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.4
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass324.126263138
Monoisotopic Mass324.126263138
Topological Polar Surface Area64.7 Ų
Heavy Atom Count25
Formal Charge0
Complexity613
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA4772-5NiCur
HY-139149A-01(E/Z) -NiCur

Popular Products