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ML387

CAT: 0013-GTR19199931-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199931-01Size:25 mg
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Description
ML387 is a selective small molecule inhibitor of the human NAD+-dependent 15-hydroxyprostaglandin dehydrogenase (15-PGDH) . This compound is a valuable research tool for studying prostaglandin metabolism and has been utilized in both in vitro and in vivo models to investigate tissue repair and inflammatory processes.
CAS Number
452077-89-3
Field of Research
Metabolism Research
Smiles
C (=O) (C=1C=C2C (N (C=N2) C3=CC=C (OC) C=C3) =CC1) N4CCCCC4
Molecular Formula
C20H21N3O2
Molecular Weight
335.4
Storage Conditions
-20°C
Notes
For research use only.

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...
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

Alternative Products

CatalogName
T24482-01ML387