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ML-148

CAT: 0931-T38163-08Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-T38163-08Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
451496-96-1
Target
Dehydrogenase
Related Pathways
Metabolism
Purity
0.9988
Bioactivity
ML-148 is a selective inhibitor of 15-hydroxy prostaglandin dehydrogenase (15-PGDH, IC50 = 56 nM) . ML-148 can be used to profile across a panel of related dehydrogenase or reductase enzymes and in studies about prostaglandin-signaling pathways.
Smiles
Cc1cccc(c1)-n1cnc2cc(ccc12)C(=O)N1CCCCC1
Molecular Formula
C20H21N3O
Molecular Weight
319.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

[1-(3-Methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone

[1-(3-methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone is a member of benzimidazoles.

CAS Number451496-96-1
PubChem CID3243760
IUPAC Name[1-(3-methylphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
Molecular FormulaC20H21N3O
Molecular Weight319.4
XLogP3.8
Topological Polar Surface Area38.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity448
SMILES
CC1=CC(=CC=C1)N2C=NC3=C2C=CC(=C3)C(=O)N4CCCCC4
InChI
InChI=1S/C20H21N3O/c1-15-6-5-7-17(12-15)23-14-21-18-13-16(8-9-19(18)23)20(24)22-10-3-2-4-11-22/h5-9,12-14H,2-4,10-11H2,1H3
InChIKey
YQNOQZALLOQMPY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [1-(3-Methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone
CAS: 451496-96-1
CID: 3243760
Formula: C20H21N3O
MW: 319.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.4
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass319.168462302
Monoisotopic Mass319.168462302
Topological Polar Surface Area38.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity448
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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