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ML387

CAT: 0931-T24482-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T24482-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
452077-89-3
Target
Others, Dehydrogenase
Related Pathways
Metabolism, Others
Bioactivity
ML387 is an inhibitor of human NAD (+) - dependent 15- hydroxyprostaglandin dehydrogenase.
Smiles
C(=O)(C=1C=C2C(N(C=N2)C3=CC=C(OC)C=C3)=CC1)N4CCCCC4
Molecular Formula
C20H21N3O2
Molecular Weight
335.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

[1-(4-Methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
CAS Number452077-89-3
PubChem CID3474778
IUPAC Name[1-(4-methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
Molecular FormulaC20H21N3O2
Molecular Weight335.4
XLogP3.4
Topological Polar Surface Area47.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity458
SMILES
COC1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)C(=O)N4CCCCC4
InChI
InChI=1S/C20H21N3O2/c1-25-17-8-6-16(7-9-17)23-14-21-18-13-15(5-10-19(18)23)20(24)22-11-3-2-4-12-22/h5-10,13-14H,2-4,11-12H2,1H3
InChIKey
FUCWZIFGSAFUAO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [1-(4-Methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
CAS: 452077-89-3
CID: 3474778
Formula: C20H21N3O2
MW: 335.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.4
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass335.16337692
Monoisotopic Mass335.16337692
Topological Polar Surface Area47.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity458
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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CatalogName
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