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VU0810464

CAT: 0013-GTR19167291-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19167291-01Size:1 mg
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Description
VU0810464
CAS Number
2126040-21-7
Product Name Alternative
Cells, neuronal GIRK, inhibit, KcsA, HPC, Inhibitor, GIRK, SAN, PotassiumChannel, Potassium Channel, VU 0810464, VU0810464, VU-0810464
Field of Research
Pharmacology & Drug Discovery
Purity
99.62% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (14.29 mM) ; DMSO:250 mg/mL (714.63 mM)
Smiles
Cc1cc (NC (=O) Cc2ccc (F) c (Cl) c2) n (n1) C1CCCCC1
Molecular Formula
C18H21ClFN3O
Molecular Weight
349.83
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(3-chloro-4-fluorophenyl)-N-(1-cyclohexyl-3-methyl-1H-pyrazol-5-yl)acetamide
CAS Number2126040-21-7
PubChem CID146014436
IUPAC Name2-(3-chloro-4-fluorophenyl)-N-(2-cyclohexyl-5-methylpyrazol-3-yl)acetamide
Molecular FormulaC18H21ClFN3O
Molecular Weight349.8
XLogP4.2
Topological Polar Surface Area46.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity432
SMILES
CC1=NN(C(=C1)NC(=O)CC2=CC(=C(C=C2)F)Cl)C3CCCCC3
InChI
InChI=1S/C18H21ClFN3O/c1-12-9-17(23(22-12)14-5-3-2-4-6-14)21-18(24)11-13-7-8-16(20)15(19)10-13/h7-10,14H,2-6,11H2,1H3,(H,21,24)
InChIKey
HNJJARDABGKWSO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-chloro-4-fluorophenyl)-N-(1-cyclohexyl-3-methyl-1H-pyrazol-5-yl)acetamide
CAS: 2126040-21-7
CID: 146014436
Formula: C18H21ClFN3O
MW: 349.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight349.8
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass349.1357182
Monoisotopic Mass349.1357182
Topological Polar Surface Area46.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity432
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

Alternative Products

CatalogName
MBS5758761VU0810464
TBI4662-5MGVU0810464, Kir3 activator

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