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IMPDH2-IN-2

CAT: 0013-GTR19186270-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186270-01Size:1 mg
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Description
IMPDH2-IN-2 is a small molecule inhibitor of inosine 5'-monophosphate dehydrogenase (IMPDH) with demonstrated antimicrobial and anti-tuberculosis activity. It is a useful research tool for investigating inflammatory processes, immune function disorders, and microbial pathogenesis in both cellular and animal models.
CAS Number
1434517-02-8
Product Name Alternative
Antibacterial, IMPDH
Field of Research
Infectious Disease & Virology, Metabolism Research
Purity
99.02% (May vary between batches)
Smiles
N (C ([C@@H] (OC1=C (Cl) C (Cl) =CC=C1) C) =O) C=2C=C3C (OC (=N3) C=4C=CN=CC4) =CC2
Molecular Formula
C21H15Cl2N3O3
Molecular Weight
428.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Impdh2-IN-2
CAS Number1434517-02-8
PubChem CID71662081
IUPAC Name(2S)-2-(2,3-dichlorophenoxy)-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)propanamide
Molecular FormulaC21H15Cl2N3O3
Molecular Weight428.3
XLogP4.9
Topological Polar Surface Area77.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity563
SMILES
C[C@@H](C(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CC=NC=C3)OC4=C(C(=CC=C4)Cl)Cl
InChI
InChI=1S/C21H15Cl2N3O3/c1-12(28-18-4-2-3-15(22)19(18)23)20(27)25-14-5-6-17-16(11-14)26-21(29-17)13-7-9-24-10-8-13/h2-12H,1H3,(H,25,27)/t12-/m0/s1
InChIKey
HRXGXBGJVNUGSX-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of Impdh2-IN-2
CAS: 1434517-02-8
CID: 71662081
Formula: C21H15Cl2N3O3
MW: 428.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight428.3
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass427.0490467
Monoisotopic Mass427.0490467
Topological Polar Surface Area77.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity563
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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