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Firsocostat 5mg

CAT: 0628-A21000-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A21000-5Size:5 mg
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CAS Number
1434635-54-7

Chemical Information

Firsocostat

Firsocostat is under investigation in clinical trial NCT02781584 (Safety, Tolerability, and Efficacy of Selonsertib, Firsocostat, and Cilofexor in Adults With Nonalcoholic Steatohepatitis (NASH)).

CAS Number1434635-54-7
PubChem CID71528744
IUPAC Name2-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid
Molecular FormulaC28H31N3O8S
Molecular Weight569.6
XLogP3.2
Topological Polar Surface Area160
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count40
Formal Charge0
Complexity947
SMILES
CC1=C(SC2=C1C(=O)N(C(=O)N2C[C@@H](C3=CC=CC=C3OC)OC4CCOCC4)C(C)(C)C(=O)O)C5=NC=CO5
InChI
InChI=1S/C28H31N3O8S/c1-16-21-24(32)31(28(2,3)26(33)34)27(35)30(25(21)40-22(16)23-29-11-14-38-23)15-20(39-17-9-12-37-13-10-17)18-7-5-6-8-19(18)36-4/h5-8,11,14,17,20H,9-10,12-13,15H2,1-4H3,(H,33,34)/t20-/m0/s1
InChIKey
ZZWWXIBKLBMSCS-FQEVSTJZSA-N
Chemical Structure
2D Structure
2D structure of Firsocostat
CAS: 1434635-54-7
CID: 71528744
Formula: C28H31N3O8S
MW: 569.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight569.6
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass569.18318613
Monoisotopic Mass569.18318613
Topological Polar Surface Area160 Ų
Heavy Atom Count40
Formal Charge0
Complexity947
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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Alternative Products

CatalogName
HY-16901-01Firsocostat
HY-16901R-01Firsocostat (Standard)
HY-16901A-01Firsocostat (S enantiomer)
AR-F10121-01Firsocostat-13C-d3
406952Firsocostat (ND-630)
T12200-01Firsocostat S enantiomer
C13757-1gFirsocostat (GS-0976, ND-630)

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