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Ac-CoA Synthase Inhibitor1

CAT: 0013-GTR19170269-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19170269-01Size:1 mg
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Description
Ac-CoA Synthase Inhibitor1
CAS Number
508186-14-9
Product Name Alternative
Fatty Acid Synthase, FattyAcidSynthase, Inhibitor, inhibit, acetate-dependent, ACSS2, ACSS2 inhibitor, acetyl-CoA, Ac CoA Synthase Inhibitor1, AcCoA Synthase Inhibitor1, Ac-CoA Synthase Inhibitor1, Ac-CoA Synthase Inhibitor-1, synthetase, syncytial, RSV, Respiratory syncytial virus, respiratory, virus
Field of Research
Infectious Disease & Virology, Metabolism Research
Purity
99.26% (May vary between batches)
Solubility
H2O:< 1 mg/mL (insoluble or slightly soluble) ; DMSO:40 mg/mL (97.44 mM) ; Ethanol:2 mg/mL (4.87 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.87 mM)
Smiles
COCCNC (=O) Nc1ccc2nc (-c3cccs3) c (nc2c1) -c1cccs1
Molecular Formula
C20H18N4O2S2
Molecular Weight
410.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(2,3-Di(thiophen-2-yl)quinoxalin-6-yl)-3-(2-methoxyethyl)urea
CAS Number508186-14-9
PubChem CID2300455
IUPAC Name1-(2,3-dithiophen-2-ylquinoxalin-6-yl)-3-(2-methoxyethyl)urea
Molecular FormulaC20H18N4O2S2
Molecular Weight410.5
XLogP2.8
Topological Polar Surface Area133
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity526
SMILES
COCCNC(=O)NC1=CC2=C(C=C1)N=C(C(=N2)C3=CC=CS3)C4=CC=CS4
InChI
InChI=1S/C20H18N4O2S2/c1-26-9-8-21-20(25)22-13-6-7-14-15(12-13)24-19(17-5-3-11-28-17)18(23-14)16-4-2-10-27-16/h2-7,10-12H,8-9H2,1H3,(H2,21,22,25)
InChIKey
CTPVNWVUAGMHEJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2,3-Di(thiophen-2-yl)quinoxalin-6-yl)-3-(2-methoxyethyl)urea
CAS: 508186-14-9
CID: 2300455
Formula: C20H18N4O2S2
MW: 410.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight410.5
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass410.08711818
Monoisotopic Mass410.08711818
Topological Polar Surface Area133 Ų
Heavy Atom Count28
Formal Charge0
Complexity526
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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