Name: Name:2-[({5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]propanoic acid
Brand: Angene
SKU: AG01BGFO
Rating: 90 (10 reviews)

2-[({5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]propanoic acid

CAS No.:

380572-61-2

Catalog Number:

AG01BGFO

Molecular Formula:

C12H15N3O2S

Molecular Weight:

265.3314

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG01BGFO

Chemical Name:

2-[({5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]propanoic acid

CAS Number:

380572-61-2

Molecular Formula:

C12H15N3O2S

Molecular Weight:

265.3314

MDL Number:

MFCD03477613

IUPAC Name:

2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]propanoic acid

InChI:

InChI=1S/C12H15N3O2S/c1-7-4-8(2)15-5-10(14-12(15)13-7)6-18-9(3)11(16)17/h4-5,9H,6H2,1-3H3,(H,16,17)

InChI Key:

HAKKMTBVANHGNK-UHFFFAOYSA-N

SMILES:

OC(=O)C(SCc1cn2c(n1)nc(cc2C)C)C

Properties

Complexity:

316

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

265.088g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

265.331g/mol

Monoisotopic Mass:

265.088g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101