Name: Name:3-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)propanoic acid
Brand: Angene
SKU: AG019VIT
Rating: 90 (10 reviews)

3-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)propanoic acid

CAS No.:

302952-45-0

Catalog Number:

AG019VIT

Molecular Formula:

C11H12N2O2S2

Molecular Weight:

268.3552

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Product Description

Catalog Number:

AG019VIT

Chemical Name:

3-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)propanoic acid

CAS Number:

302952-45-0

Molecular Formula:

C11H12N2O2S2

Molecular Weight:

268.3552

MDL Number:

MFCD01918590

IUPAC Name:

3-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoic acid

InChI:

InChI=1S/C11H12N2O2S2/c1-6-7(2)17-11-9(6)10(12-5-13-11)16-4-3-8(14)15/h5H,3-4H2,1-2H3,(H,14,15)

InChI Key:

LFKHJLLYVAMGMD-UHFFFAOYSA-N

SMILES:

Cc1c(C)sc2c1c(SCCC(=O)O)ncn2

Properties

Complexity:

291

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

268.034g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

268.349g/mol

Monoisotopic Mass:

268.034g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

117A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

Literature

Title	Journal
Synthesis and biological evaluation of substituted (thieno[2,3-d]pyrimidin-4-ylthio)carboxylic acids as inhibitors of human protein kinase CK2.	European journal of medicinal chemistry 20110301
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101