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GSK1016790A 25mg

CAT: 0628-A15854-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A15854-25Size:25 mg
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CAS Number
942206-85-1

Chemical Information

Gsk 10116790A

GSK1016790A is a tertiary carboxamide that is piperazine in which one of the amino groups has undergone condensation with the carboxy group of N-[(2,4-dichlorophenyl)sulfonyl]-L-serine, while the other has undergone condensation with the carboxy group of N-(1-benzothiophen-2-ylcarbonyl)-L-leucine. It is a cell-permeable, potent and selective agonist of the TRPV4 (transient receptor potential vanilloid 4) channel. It has a role as a TRPV4 agonist. It is a tertiary carboxamide, a dichlorobenzene, an aromatic primary alcohol, a sulfonamide, a member of 1-benzothiophenes and a N-acylpiperazine.

CAS Number942206-85-1
PubChem CID23630211
IUPAC NameN-[(2S)-1-[4-[(2S)-2-[(2,4-dichlorophenyl)sulfonylamino]-3-hydroxypropanoyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide
Molecular FormulaC28H32Cl2N4O6S2
Molecular Weight655.6
XLogP4.4
Topological Polar Surface Area173
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count42
Formal Charge0
Complexity1070
SMILES
CC(C)C[C@@H](C(=O)N1CCN(CC1)C(=O)[C@H](CO)NS(=O)(=O)C2=C(C=C(C=C2)Cl)Cl)NC(=O)C3=CC4=CC=CC=C4S3
InChI
InChI=1S/C28H32Cl2N4O6S2/c1-17(2)13-21(31-26(36)24-14-18-5-3-4-6-23(18)41-24)27(37)33-9-11-34(12-10-33)28(38)22(16-35)32-42(39,40)25-8-7-19(29)15-20(25)30/h3-8,14-15,17,21-22,32,35H,9-13,16H2,1-2H3,(H,31,36)/t21-,22-/m0/s1
InChIKey
IVYQPSHHYIAUFO-VXKWHMMOSA-N
Chemical Structure
2D Structure
2D structure of Gsk 10116790A
CAS: 942206-85-1
CID: 23630211
Formula: C28H32Cl2N4O6S2
MW: 655.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight655.6
XLogP34.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass654.1140325
Monoisotopic Mass654.1140325
Topological Polar Surface Area173 Ų
Heavy Atom Count42
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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