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TCA-1

CAT: 0013-GTR19160976-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160976-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A small molecule with activity against drug-resistant and persistent tuberculosis; shows bactericidal activity against nonreplicating Mtb in vitro and is efficacious in acute and chronic Mtb infection mouse models; down-regulates genes known to be involved in Mtb persistence; inhibits DprE1 and MoeW, enzymes involved in cell wall and molybdenum cofactor biosynthesis.
CAS Number
864941-32-2
Product Name Alternative
TCA1
Purity
>98% (HPLC)
Solubility
DMSO: Soluble (< 1 mg/ml refers to the product slightly soluble or insoluble)
Smiles
CCOC (=O) NC (=O) C1=C (SC=C1) NC (=O) C2=NC3=CC=CC=C3S2
Molecular Formula
C16H13N3O4S2
Molecular Weight
375.417
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Ethyl (2- (benzo[d]thiazole-2-carboxamido) thiophene-3-carbonyl) carbamate

Chemical Information

Ethyl ({2-[(1,3-Benzothiazol-2-Ylcarbonyl)amino]thiophen-3-Yl}carbonyl)carbamate
CAS Number864941-32-2
PubChem CID4557640
IUPAC Nameethyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate
Molecular FormulaC16H13N3O4S2
Molecular Weight375.4
XLogP3.9
Topological Polar Surface Area154
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity534
SMILES
CCOC(=O)NC(=O)C1=C(SC=C1)NC(=O)C2=NC3=CC=CC=C3S2
InChI
InChI=1S/C16H13N3O4S2/c1-2-23-16(22)19-12(20)9-7-8-24-14(9)18-13(21)15-17-10-5-3-4-6-11(10)25-15/h3-8H,2H2,1H3,(H,18,21)(H,19,20,22)
InChIKey
ISNBJLXHBBZKSL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl ({2-[(1,3-Benzothiazol-2-Ylcarbonyl)amino]thiophen-3-Yl}carbonyl)carbamate
CAS: 864941-32-2
CID: 4557640
Formula: C16H13N3O4S2
MW: 375.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.4
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass375.03474825
Monoisotopic Mass375.03474825
Topological Polar Surface Area154 Ų
Heavy Atom Count25
Formal Charge0
Complexity534
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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