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TRPC5 modulator-1

CAT: 0013-GTR19186481-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186481-01Size:25 mg
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Description
Compound 9 is a potent and selective TRPC5 ion channel modulator with sub-nanomolar activity. It serves as a valuable pharmacological tool for investigating TRPC5 function in neuropsychiatric disorders, enabling both in vitro mechanistic studies and in vivo behavioral research.
CAS Number
1877343-90-2
Field of Research
Pharmacology & Drug Discovery, Signal Transduction
Smiles
C (C1=C2C (N (C) C (=O) N (CCCO) C2=O) =CC=C1OCCCC) C3=CC=C (F) C=C3
Molecular Formula
C23H27FN2O4
Molecular Weight
414.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

TRPC5 modulator-1
CAS Number1877343-90-2
PubChem CID118869687
IUPAC Name6-butoxy-5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropyl)-1-methylquinazoline-2,4-dione
Molecular FormulaC23H27FN2O4
Molecular Weight414.5
XLogP3.7
Topological Polar Surface Area70.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity582
SMILES
CCCCOC1=C(C2=C(C=C1)N(C(=O)N(C2=O)CCCO)C)CC3=CC=C(C=C3)F
InChI
InChI=1S/C23H27FN2O4/c1-3-4-14-30-20-11-10-19-21(18(20)15-16-6-8-17(24)9-7-16)22(28)26(12-5-13-27)23(29)25(19)2/h6-11,27H,3-5,12-15H2,1-2H3
InChIKey
FEOHBJSOSGSWDK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of TRPC5 modulator-1
CAS: 1877343-90-2
CID: 118869687
Formula: C23H27FN2O4
MW: 414.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight414.5
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass414.19548551
Monoisotopic Mass414.19548551
Topological Polar Surface Area70.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity582
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