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ARC7

CAT: 0804-HY-153610-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-153610-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ARC7 can act as a probe for secondary metabolism in S. coelicolor. ARC7 is a tool for studying secondary metabolism and the streptomycete life cycle[1].
CAS Number
681212-58-8
UNSPSC
12352005
Target
Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/arc7.html
Purity
99.57
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=C(N1CCC(CC1)C2=NC(C3=CC=C(Cl)S3)=CS2)OC(C)(C)C
Molecular Formula
C17H21ClN2O2S2
Molecular Weight
384.94
References & Citations
[1]Ahmed S, et al. A synthetic, species-specific activator of secondary metabolism and sporulation in Streptomyces coelicolor. Chembiochem. 2013 Jan 2;14 (1) :83-91.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

tert-butyl 4-[4-(5-chloro-2-thienyl)-1,3-thiazol-2-yl]tetrahydropyridine-1(2H)-carboxylate
CAS Number681212-58-8
PubChem CID2809464
IUPAC Nametert-butyl 4-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
Molecular FormulaC17H21ClN2O2S2
Molecular Weight384.9
XLogP4.8
Topological Polar Surface Area98.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity452
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=CS2)C3=CC=C(S3)Cl
InChI
InChI=1S/C17H21ClN2O2S2/c1-17(2,3)22-16(21)20-8-6-11(7-9-20)15-19-12(10-23-15)13-4-5-14(18)24-13/h4-5,10-11H,6-9H2,1-3H3
InChIKey
XDKPTHRLGIBRNN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of tert-butyl 4-[4-(5-chloro-2-thienyl)-1,3-thiazol-2-yl]tetrahydropyridine-1(2H)-carboxylate
CAS: 681212-58-8
CID: 2809464
Formula: C17H21ClN2O2S2
MW: 384.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.9
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass384.0732980
Monoisotopic Mass384.0732980
Topological Polar Surface Area98.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity452
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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