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GSK2798745 derivative

CAT: 0931-T205925-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T205925-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3026084-12-5
Target
TRP/TRPV Channel
Related Pathways
Membrane transporter/Ion channel
Purity
0.994
Bioactivity
GSK2798745 derivatives are solid-form derivatives of GSK2798745 (see WO2025014818), acting as selective TRPV4 blockers and antagonists for investigation of cardiac and respiratory disorders.
Smiles
C([C@]1(C)C[C@]2(CN(C(=O)O2)C=3C=NC(C(C)(C)O)=CN3)CC[C@H]1F)N4C=5C(N=C4)=CC=C(C#N)C5
Molecular Formula
C25H27PN6O3
Molecular Weight
478.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Xne77Z4CC3
CAS Number3026084-12-5
PubChem CID170721308
IUPAC Name3-[[(5S,7S,8R)-8-fluoro-3-[5-(2-hydroxypropan-2-yl)pyrazin-2-yl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl]methyl]benzimidazole-5-carbonitrile
Molecular FormulaC25H27FN6O3
Molecular Weight478.5
XLogP2.1
Topological Polar Surface Area117
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count35
Formal Charge0
Complexity881
SMILES
C[C@]1(C[C@@]2(CC[C@H]1F)CN(C(=O)O2)C3=NC=C(N=C3)C(C)(C)O)CN4C=NC5=C4C=C(C=C5)C#N
InChI
InChI=1S/C25H27FN6O3/c1-23(2,34)20-10-29-21(11-28-20)32-14-25(35-22(32)33)7-6-19(26)24(3,12-25)13-31-15-30-17-5-4-16(9-27)8-18(17)31/h4-5,8,10-11,15,19,34H,6-7,12-14H2,1-3H3/t19-,24+,25+/m1/s1
InChIKey
GMWREKJBHSGOTM-NGXZDTIWSA-N
Chemical Structure
2D Structure
2D structure of Xne77Z4CC3
CAS: 3026084-12-5
CID: 170721308
Formula: C25H27FN6O3
MW: 478.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.5
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass478.21286691
Monoisotopic Mass478.21286691
Topological Polar Surface Area117 Ų
Heavy Atom Count35
Formal Charge0
Complexity881
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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