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AN7973

CAT: 0931-T13548-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T13548-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1620899-32-2
Target
Parasite, Others
Related Pathways
Others, Microbiology/Virology
Bioactivity
AN7973 blocks intracellular parasite development and inhibits Cryptosporidium growth. It is orally active, possesses favorable safety, stability, and PK parameters.
Smiles
CC1(C)OB(O)c2cc(NC(=O)c3ccc(cc3Cl)-n3cccn3)ccc12
Molecular Formula
C19H17BClN3O3
Molecular Weight
381.62
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Chloro-N-(1-hydroxy-3,3-dimethyl-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)-4-(1H-pyrazol-1-yl)benzamide
CAS Number1620899-32-2
PubChem CID77846210
IUPAC Name2-chloro-N-(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)-4-pyrazol-1-ylbenzamide
Molecular FormulaC19H17BClN3O3
Molecular Weight381.6
Topological Polar Surface Area76.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity566
SMILES
B1(C2=C(C=CC(=C2)NC(=O)C3=C(C=C(C=C3)N4C=CC=N4)Cl)C(O1)(C)C)O
InChI
InChI=1S/C19H17BClN3O3/c1-19(2)15-7-4-12(10-16(15)20(26)27-19)23-18(25)14-6-5-13(11-17(14)21)24-9-3-8-22-24/h3-11,26H,1-2H3,(H,23,25)
InChIKey
JUSVAUWJLCQPHI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-N-(1-hydroxy-3,3-dimethyl-1,3-dihydrobenzo[c][1,2]oxaborol-6-yl)-4-(1H-pyrazol-1-yl)benzamide
CAS: 1620899-32-2
CID: 77846210
Formula: C19H17BClN3O3
MW: 381.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass381.1051493
Monoisotopic Mass381.1051493
Topological Polar Surface Area76.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity566
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

Alternative Products

CatalogName
BA2092-5AN7973
A18884-100AN7973 100mg
A18884-50AN7973 50mg
A18884-10AN7973 10mg
A18884-25AN7973 25mg
A18884-5AN7973 5mg
A18884-10mM-DAN7973 10mM * 1mL in DMSO

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