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64048-12-0 molecular structure
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4-[tris(pyridin-4-yl)thiophen-3-yl]pyridine

ChemBase ID: 154970
Molecular Formular: C24H16N4S
Molecular Mass: 392.47564
Monoisotopic Mass: 392.10956753
SMILES and InChIs

SMILES:
c1cnccc1c1c(c(sc1c1ccncc1)c1ccncc1)c1ccncc1
Canonical SMILES:
n1ccc(cc1)c1sc(c(c1c1ccncc1)c1ccncc1)c1ccncc1
InChI:
InChI=1S/C24H16N4S/c1-9-25-10-2-17(1)21-22(18-3-11-26-12-4-18)24(20-7-15-28-16-8-20)29-23(21)19-5-13-27-14-6-19/h1-16H
InChIKey:
USWLOKMMUTWFMD-UHFFFAOYSA-N

Cite this record

CBID:154970 http://www.chembase.cn/molecule-154970.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[tris(pyridin-4-yl)thiophen-3-yl]pyridine
IUPAC Traditional name
4-[tris(pyridin-4-yl)thiophen-3-yl]pyridine
Synonyms
2,3,4,5-Tetra(4-pyridyl)thiophene
4,4′,4′′,4′′′-Thiene-2,3,4,5-tetrayltetrapyridine
GANT58
CAS Number
64048-12-0
MDL Number
MFCD01103196
PubChem SID
162249108
PubChem CID
253078

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
G8923 external link Add to cart Please log in.
Data Source Data ID
PubChem 253078 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.3506296  LogD (pH = 7.4) 3.4637976 
Log P 3.4653118  Molar Refractivity 114.6492 cm3
Polarizability 49.479305 Å3 Polar Surface Area 51.56 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO: >10 mg/mL expand Show data source
Apperance
white to pale yellow expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
≥98% (HPLC) expand Show data source
Empirical Formula (Hill Notation)
C24H16N4S expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - G8923 external link
Biochem/physiol Actions
GANT58 is a Hedgehog signaling pathway inhibitor. GANT58 inhibits the hedgehog signaling pathway downstream of Smo. GANT58 inhibits Gli transcriptional activity, and reduces cellular levels of the Hh pathway components Gli1, Shh, and patched.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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