Home > Compound List > Compound details
1339928-25-4 molecular structure
click picture or here to close

N-hydroxy-2-({[2-(6-methoxypyridin-3-yl)-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}(methyl)amino)pyrimidine-5-carboxamide

ChemBase ID: 312722
Molecular Formular: C23H24N8O4S
Molecular Mass: 508.55286
Monoisotopic Mass: 508.16412229
SMILES and InChIs

SMILES:
c1nc(ncc1C(=O)NO)N(C)Cc1cc2c(s1)c(nc(n2)c1ccc(nc1)OC)N1CCOCC1
Canonical SMILES:
ONC(=O)c1cnc(nc1)N(Cc1cc2c(s1)c(nc(n2)c1ccc(nc1)OC)N1CCOCC1)C
InChI:
InChI=1S/C23H24N8O4S/c1-30(23-25-11-15(12-26-23)22(32)29-33)13-16-9-17-19(36-16)21(31-5-7-35-8-6-31)28-20(27-17)14-3-4-18(34-2)24-10-14/h3-4,9-12,33H,5-8,13H2,1-2H3,(H,29,32)
InChIKey:
JOWXJLIFIIOYMS-UHFFFAOYSA-N

Cite this record

CBID:312722 http://www.chembase.cn/molecule-312722.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-hydroxy-2-({[2-(6-methoxypyridin-3-yl)-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}(methyl)amino)pyrimidine-5-carboxamide
IUPAC Traditional name
N-hydroxy-2-({[2-(6-methoxypyridin-3-yl)-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}(methyl)amino)pyrimidine-5-carboxamide
Synonyms
CUDC-907
CAS Number
1339928-25-4

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Selleck Chemicals S2759 external link Add to cart
Data Source Data ID Price
Selleck Chemicals
S2759 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.2350025  H Acceptors 11 
H Donor LogD (pH = 5.5) 2.7810714 
LogD (pH = 7.4) 2.7780774  Log P 2.7842708 
Molar Refractivity 145.8165 cm3 Polarizability 51.226746 Å3
Polar Surface Area 138.72 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Pharmacology Properties Product Information Bioassay(PubChem)
Target
HDAC, PI3K expand Show data source
Salt Data
Free Base expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle