Products for Research Use Only
RegisterLogin

Antitubercular agent-47

CAT: 0013-GTR19239683-03Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19239683-03Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Antitubercular agent-47 (compound 5C) is a potent small molecule inhibitor effective against drug-sensitive (DS), multidrug-resistant (MDR), and extensively drug-resistant (XDR) Mycobacterium tuberculosis strains. It serves as a valuable research tool for in vitro and in vivo studies aimed at developing novel tuberculosis therapeutics.
CAS Number
2956713-87-2
Field of Research
Infectious Disease & Virology
Smiles
N1=CC=CN1C=2C=CC (=CC2) C3=NC (=C (O3) C) CN4CCC5 (C=6C=CC=CC6CC5) CC4
Molecular Formula
C27H28N4O
Molecular Weight
424.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Antitubercular agent-47
CAS Number2956713-87-2
PubChem CID172429465
IUPAC Name5-methyl-2-(4-pyrazol-1-ylphenyl)-4-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-1,3-oxazole
Molecular FormulaC27H28N4O
Molecular Weight424.5
XLogP5.1
Topological Polar Surface Area47.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity627
SMILES
CC1=C(N=C(O1)C2=CC=C(C=C2)N3C=CC=N3)CN4CCC5(CCC6=CC=CC=C65)CC4
InChI
InChI=1S/C27H28N4O/c1-20-25(29-26(32-20)22-7-9-23(10-8-22)31-16-4-15-28-31)19-30-17-13-27(14-18-30)12-11-21-5-2-3-6-24(21)27/h2-10,15-16H,11-14,17-19H2,1H3
InChIKey
SLILHTZTCDJPKG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antitubercular agent-47
CAS: 2956713-87-2
CID: 172429465
Formula: C27H28N4O
MW: 424.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.5
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass424.22631153
Monoisotopic Mass424.22631153
Topological Polar Surface Area47.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity627
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

Related Products

CatalogName
GTR19166788-01Antitubercular agent-30
GTR19275054-01Antitubercular agent-56
GTR19220723-01Antitubercular agent 34
GTR19218840-01Antitubercular agent-37
GTR19206014-01Antitubercular agent-33
GTR19187671-01Antitubercular agent-11
GTR19187543-01Antitubercular agent-21
GTR19187212-01Antitubercular agent-29
GTR19187072-01Antitubercular agent-13
GTR19187020-01Antitubercular agent-24

Alternative Products

CatalogName
HY-168123Antitubercular agent-47
HY-132928Antitubercular agent-10
HY-146050Antitubercular agent-17
T210379-01Antitubercular agent-46
T208883-01Antitubercular agent-44
HY-155067Antitubercular agent-38
HY-146495Antitubercular agent-19
HY-156021-01Antitubercular agent-40
T63414-01Antitubercular agent-31
T60716-01Antitubercular agent-28

Popular Products