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CAT: 0607-B7520-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B7520-10Size:10 mg
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Description
vanilloid receptor 1 (TRPV1 receptor) antagonist
CAS Number
393514-24-4
Product Name Alternative
N-(4-(tert-butyl)phenyl)-4-(3-chloropyridin-2-yl)piperazine-1-carboxamide
Field of Research
Membrane Transporter Ion Channel TRP Channel
Purity
0.9914
Form
A solid
Solubility
insoluble in H2O; ≥112.6 mg/mL in DMSO; ≥12.93 mg/mL in EtOH with ultrasonic
Smiles
ClC1=CC=CN=C1N2CCN(C(NC3=CC=C(C=C3)C(C)(C)C)=O)CC2
Molecular Formula
C20H25ClN4O
Molecular Weight
372.89
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

N-(4-tert-Butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2H)-carboxamide

1-piperazinecarboxamide, 4-(3-chloro-2-pyridinyl)-n-[4-(1,1-dimethylethyl)phenyl]- is a member of piperazines and a member of pyridines.

CAS Number393514-24-4
PubChem CID9929425
IUPAC NameN-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide
Molecular FormulaC20H25ClN4O
Molecular Weight372.9
XLogP4.3
Topological Polar Surface Area48.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity465
SMILES
CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C(C=CC=N3)Cl
InChI
InChI=1S/C20H25ClN4O/c1-20(2,3)15-6-8-16(9-7-15)23-19(26)25-13-11-24(12-14-25)18-17(21)5-4-10-22-18/h4-10H,11-14H2,1-3H3,(H,23,26)
InChIKey
ROGUAPYLUCHQGK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-tert-Butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2H)-carboxamide
CAS: 393514-24-4
CID: 9929425
Formula: C20H25ClN4O
MW: 372.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.9
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass372.1716891
Monoisotopic Mass372.1716891
Topological Polar Surface Area48.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity465
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
BB165272-01BCTC

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