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Haptamide B

CAT: 0931-T25488-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T25488-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
546124-87-2
Target
Others
Related Pathways
Others
Bioactivity
Haptamide B is a selective Hap2/3/4/5p mediated transcription inhibitor in vivo.
Smiles
C(NC1=CC(O)=CC=C1)(=O)C2=C[C@H](C[C@@H](OCCCCO)O2)C=3C=CSC3
Molecular Formula
C20H23NO5S
Molecular Weight
389.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Haptamide B
CAS Number546124-87-2
PubChem CID10992763
IUPAC Name(2S,4S)-2-(4-hydroxybutoxy)-N-(3-hydroxyphenyl)-4-thiophen-3-yl-3,4-dihydro-2H-pyran-6-carboxamide
Molecular FormulaC20H23NO5S
Molecular Weight389.5
XLogP3
Topological Polar Surface Area116
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity515
SMILES
C1[C@@H](C=C(O[C@@H]1OCCCCO)C(=O)NC2=CC(=CC=C2)O)C3=CSC=C3
InChI
InChI=1S/C20H23NO5S/c22-7-1-2-8-25-19-11-15(14-6-9-27-13-14)10-18(26-19)20(24)21-16-4-3-5-17(23)12-16/h3-6,9-10,12-13,15,19,22-23H,1-2,7-8,11H2,(H,21,24)/t15-,19+/m1/s1
InChIKey
IXBKEZAQWYHNQJ-BEFAXECRSA-N
Chemical Structure
2D Structure
2D structure of Haptamide B
CAS: 546124-87-2
CID: 10992763
Formula: C20H23NO5S
MW: 389.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.5
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass389.12969401
Monoisotopic Mass389.12969401
Topological Polar Surface Area116 Ų
Heavy Atom Count27
Formal Charge0
Complexity515
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
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