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TRPV3 antagonist 74a

CAT: 0931-T37429Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T37429Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1432051-63-2
Target
TRP/TRPV Channel
Related Pathways
Membrane transporter/Ion channel
Purity
≥98.0%
Bioactivity
TRPV3 antagonist 74a (TRPV3 74a) is a specific TRPV3 antagonist for the study of neurological disorders.
Smiles
[C@H](O)([C@]1(C[C@@](C)(O)C1)C2=CC(C(F)(F)F)=CC=N2)C3=CC=CC=N3
Molecular Formula
C17H17F3N2O2
Molecular Weight
338.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

TRPV3 antagonist 74a
CAS Number1432051-63-2
PubChem CID71554840
IUPAC Name3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol
Molecular FormulaC17H17F3N2O2
Molecular Weight338.32
XLogP1.7
Topological Polar Surface Area66.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity452
SMILES
CC1(CC(C1)(C2=NC=CC(=C2)C(F)(F)F)[C@@H](C3=CC=CC=N3)O)O
InChI
InChI=1S/C17H17F3N2O2/c1-15(24)9-16(10-15,14(23)12-4-2-3-6-21-12)13-8-11(5-7-22-13)17(18,19)20/h2-8,14,23-24H,9-10H2,1H3/t14-,15?,16?/m1/s1
InChIKey
MTJXDHFAWXGXIN-QQFBHYJXSA-N
Chemical Structure
2D Structure
2D structure of TRPV3 antagonist 74a
CAS: 1432051-63-2
CID: 71554840
Formula: C17H17F3N2O2
MW: 338.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.32
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass338.12421228
Monoisotopic Mass338.12421228
Topological Polar Surface Area66.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity452
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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