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TG3-95-1

CAT: 0804-HY-116845Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-116845Size:1 Each
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Description
TG3-95-1 is an active compound.
CAS Number
301322-12-3
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Drug Derivative
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/tg3-95-1.html
Smiles
O=C(C1=C(NC(C2=CC=CO2)=O)SC3=C1CCCCC3)OCC
Molecular Formula
C17H19NO4S
Molecular Weight
333.40
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]EP2 receptor signaling pathways regulate classical activation of microglia
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

compound 1 (PMID: 20080612)

2-[[2-furanyl(oxo)methyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester is an organosulfur heterocyclic compound.

CAS Number301322-12-3
PubChem CID673766
IUPAC Nameethyl 2-(furan-2-carbonylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Molecular FormulaC17H19NO4S
Molecular Weight333.4
XLogP4.7
Topological Polar Surface Area96.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity444
SMILES
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC=CO3
InChI
InChI=1S/C17H19NO4S/c1-2-21-17(20)14-11-7-4-3-5-9-13(11)23-16(14)18-15(19)12-8-6-10-22-12/h6,8,10H,2-5,7,9H2,1H3,(H,18,19)
InChIKey
SCIMXCMXGZZKTB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of compound 1 (PMID: 20080612)
CAS: 301322-12-3
CID: 673766
Formula: C17H19NO4S
MW: 333.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.4
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass333.10347926
Monoisotopic Mass333.10347926
Topological Polar Surface Area96.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity444
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

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