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UE2343

CAT: 0127-BUP23574-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP23574-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1346013-80-6
Purity
≥95%
Smiles
C (=O) (N1[C@@]2 (C[C@@] (O) (C[C@]1 (CC2) [H]) C=3N=CC=CN3) [H]) C=4C=C (SC4) C=5C=NNC5

Chemical Information

UE2343

an inhibitor of 11beta‐hydroxysteroid dehydrogenase type 1; structure in first source

CAS Number1346013-80-6
PubChem CID137530063
IUPAC Name[(1R,5S)-3-hydroxy-3-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-8-yl]-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone
Molecular FormulaC19H19N5O2S
Molecular Weight381.5
XLogP1.1
Topological Polar Surface Area123
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity558
SMILES
C1C[C@H]2CC(C[C@@H]1N2C(=O)C3=CSC(=C3)C4=CNN=C4)(C5=NC=CC=N5)O
InChI
InChI=1S/C19H19N5O2S/c25-17(12-6-16(27-11-12)13-9-22-23-10-13)24-14-2-3-15(24)8-19(26,7-14)18-20-4-1-5-21-18/h1,4-6,9-11,14-15,26H,2-3,7-8H2,(H,22,23)/t14-,15+,19?
InChIKey
MMZFGTAMARVHAF-RTHVDDQRSA-N
Chemical Structure
2D Structure
2D structure of UE2343
CAS: 1346013-80-6
CID: 137530063
Formula: C19H19N5O2S
MW: 381.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.5
XLogP31.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass381.12594604
Monoisotopic Mass381.12594604
Topological Polar Surface Area123 Ų
Heavy Atom Count27
Formal Charge0
Complexity558
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
MBS3601390UE2343

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