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Ibezapolstat hydrochloride

CAT: 0013-GTR19188256-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188256-01Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Ibezapolstat hydrochloride is a small molecule antibacterial compound for research use. It is utilized in microbiological studies to investigate its mechanism of action and efficacy against Clostridioides difficile in both in vitro and in vivo experimental models.
CAS Number
1275582-98-3
Product Name Alternative
Ibezapolstat Hydrochloride, ACX362E, Antibacterial
Field of Research
Cell Biology, Infectious Disease & Virology, Molecular Biology
Purity
99.84% (May vary between batches)
Solubility
DMSO:55 mg/mL (119.63 mM)
Smiles
Cl.O=C1N=C (NC=2N=CN (C12) CCN3CCOCC3) NCC4=CC=C (Cl) C (Cl) =C4
Molecular Formula
C18H21Cl3N6O2
Molecular Weight
459.756
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ibezapolstat hydrochloride
CAS Number1275582-98-3
PubChem CID136022208
IUPAC Name2-[(3,4-dichlorophenyl)methylamino]-7-(2-morpholin-4-ylethyl)-1H-purin-6-one;hydrochloride
Molecular FormulaC18H21Cl3N6O2
Molecular Weight459.8
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity588
SMILES
C1COCCN1CCN2C=NC3=C2C(=O)NC(=N3)NCC4=CC(=C(C=C4)Cl)Cl.Cl
InChI
InChI=1S/C18H20Cl2N6O2.ClH/c19-13-2-1-12(9-14(13)20)10-21-18-23-16-15(17(27)24-18)26(11-22-16)4-3-25-5-7-28-8-6-25;/h1-2,9,11H,3-8,10H2,(H2,21,23,24,27);1H
InChIKey
RNBLTEKVVQGCIM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ibezapolstat hydrochloride
CAS: 1275582-98-3
CID: 136022208
Formula: C18H21Cl3N6O2
MW: 459.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass458.079157
Monoisotopic Mass458.079157
Topological Polar Surface Area83.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity588
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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