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ACH-702

CAT: 0013-GTR19200614-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200614-01Size:25 mg
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Description
ACH-702 is a bactericidal small-molecule agent with potent anti-tubercular activity, including against drug-resistant strains. It serves as a valuable research tool for investigating novel tuberculosis therapeutics, demonstrating efficacy in both in vitro assays and in vivo murine infection models.
CAS Number
922491-46-1
Field of Research
Cell Biology, Infectious Disease & Virology
Smiles
COc1c (N2CCC (C2) C (C) (C) N) c (F) cc2c1n (C1CC1) c1s[nH]c (=O) c1c2=O |@@:9|
Molecular Formula
C21H25FN4O3S
Molecular Weight
432.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ach-702

an anti-tubercular agent; structure in first source

CAS Number922491-46-1
PubChem CID16048804
IUPAC Name7-[(3R)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
Molecular FormulaC21H25FN4O3S
Molecular Weight432.5
XLogP2.3
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity801
SMILES
CC(C)([C@@H]1CCN(C1)C2=C(C=C3C(=C2OC)N(C4=C(C3=O)C(=O)NS4)C5CC5)F)N
InChI
InChI=1S/C21H25FN4O3S/c1-21(2,23)10-6-7-25(9-10)16-13(22)8-12-15(18(16)29-3)26(11-4-5-11)20-14(17(12)27)19(28)24-30-20/h8,10-11H,4-7,9,23H2,1-3H3,(H,24,28)/t10-/m1/s1
InChIKey
CECJUHKZSOSOJJ-SNVBAGLBSA-N
Chemical Structure
2D Structure
2D structure of Ach-702
CAS: 922491-46-1
CID: 16048804
Formula: C21H25FN4O3S
MW: 432.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.5
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass432.16314001
Monoisotopic Mass432.16314001
Topological Polar Surface Area113 Ų
Heavy Atom Count30
Formal Charge0
Complexity801
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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