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HDHODH-IN-3

CAT: 1410-M26157-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M26157-01Size:2 mg
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Description
HDHODH-IN-3 is an inhibitor of human dihydroorotate dehydrogenase with a pMIC50 value of 8.6. hDHODH-IN-3 can inhibit measles virus replication.
CAS Number
1644156-80-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
403.27
Molecular Formula
C18H19BrN4O2
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

hDHODH-IN-3
CAS Number1644156-80-8
PubChem CID118430627
IUPAC Name2-[4-(2-bromophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-ethylpyrimidine
Molecular FormulaC18H19BrN4O2
Molecular Weight403.3
XLogP4.6
Topological Polar Surface Area62.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity409
SMILES
CCC1=CN=C(N=C1)N2C(=C(C(=N2)OCC)OC3=CC=CC=C3Br)C
InChI
InChI=1S/C18H19BrN4O2/c1-4-13-10-20-18(21-11-13)23-12(3)16(17(22-23)24-5-2)25-15-9-7-6-8-14(15)19/h6-11H,4-5H2,1-3H3
InChIKey
SNDPFEDGFPXNIX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of hDHODH-IN-3
CAS: 1644156-80-8
CID: 118430627
Formula: C18H19BrN4O2
MW: 403.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.3
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass402.06914
Monoisotopic Mass402.06914
Topological Polar Surface Area62.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity409
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

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T11025-01HDHODH-IN-3
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