Anti-TB agent 1

CAT: 0931-T10329-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0931-T10329-01Size:1 mg

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CAS Number

2294013-78-6

Target

Antibacterial, Antibiotic

Related Pathways

Microbiology/Virology

Purity

0.9973

Bioactivity

Anti-TB agent 1 is a potent and orally active anti-tuberculosis compound (MICs: < 2 nM against the Mtb strains H37Rv, rRMP, and rINH) .

Smiles

C(NCC1=CC=C(C=N1)C2=CC=C(OC(F)(F)F)C=C2)(=O)C3=C4N(N=C3C)C=CC(OC)=C4

Molecular Formula

C23H19F3N4O3

Molecular Weight

456.42

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

anti-TB agent 1

CAS Number	2294013-78-6
PubChem CID	138377595
IUPAC Name	5-methoxy-2-methyl-N-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
Molecular Formula	C23H19F3N4O3
Molecular Weight	456.4
XLogP	4
Topological Polar Surface Area	77.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	33
Formal Charge	0
Complexity	659

SMILES

CC1=NN2C=CC(=CC2=C1C(=O)NCC3=NC=C(C=C3)C4=CC=C(C=C4)OC(F)(F)F)OC

InChI

InChI=1S/C23H19F3N4O3/c1-14-21(20-11-19(32-2)9-10-30(20)29-14)22(31)28-13-17-6-3-16(12-27-17)15-4-7-18(8-5-15)33-23(24,25)26/h3-12H,13H2,1-2H3,(H,28,31)

InChIKey

FJXCWOFMPQOVBV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2294013-78-6

CID: 138377595

Formula: C23H19F3N4O3

MW: 456.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	456.4
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	456.14092497
Monoisotopic Mass	456.14092497
Topological Polar Surface Area	77.8 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	659
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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M32780-01	Anti-TB agent 1
A18394-100	Anti-TB agent 1 100mg
A18394-50	Anti-TB agent 1 50mg
A18394-25	Anti-TB agent 1 25mg
A18394-200	Anti-TB agent 1 200mg
A18394-10	Anti-TB agent 1 10mg
A18394-5	Anti-TB agent 1 5mg
A18394-1	Anti-TB agent 1 1mg
A18394-10mM-D	Anti-TB agent 1 10mM * 1mL in DMSO
G4105-100ML	Anti-Clumping Agent

Anti-TB agent 1

Chemical Information

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