Name: Name:1-(5-((7-(3-Morpholinopropoxy)quinazolin-4-yl)thio)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea
Brand: Angene
SKU: AG0012Q0
Rating: 90 (10 reviews)

1-(5-((7-(3-Morpholinopropoxy)quinazolin-4-yl)thio)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea

CAS No.:

1370256-78-2

Catalog Number:

AG0012Q0

Molecular Formula:

C25H27N7O3S2

Molecular Weight:

537.6570

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

5mg

98%

1 week

United States

$348

- +

10mg

98%

1 week

United States

$543

- +

50mg

98%

1 week

United States

$1376

- +

100mg

98%

1 week

United States

$2001

- +

Product Description

Catalog Number:

AG0012Q0

Chemical Name:

1-(5-((7-(3-Morpholinopropoxy)quinazolin-4-yl)thio)-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea

CAS Number:

1370256-78-2

Molecular Formula:

C25H27N7O3S2

Molecular Weight:

537.6570

MDL Number:

MFCD28900746

IUPAC Name:

1-(4-methylphenyl)-3-[5-[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]sulfanyl-1,3,4-thiadiazol-2-yl]urea

InChI:

InChI=1S/C25H27N7O3S2/c1-17-3-5-18(6-4-17)28-23(33)29-24-30-31-25(37-24)36-22-20-8-7-19(15-21(20)26-16-27-22)35-12-2-9-32-10-13-34-14-11-32/h3-8,15-16H,2,9-14H2,1H3,(H2,28,29,30,33)

InChI Key:

LKXFSTAQMOENSC-UHFFFAOYSA-N

SMILES:

O=C(Nc1nnc(s1)Sc1ncnc2c1ccc(c2)OCCCN1CCOCC1)Nc1ccc(cc1)C

Properties

Complexity:

712

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

537.162g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

537.657g/mol

Monoisotopic Mass:

537.162g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

168A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Discovery of the novel potent and selective FLT3 inhibitor 1-{5-[7-(3- morpholinopropoxy)quinazolin-4-ylthio]-[1,3,4]thiadiazol-2-yl}-3-p-tolylurea and its anti-acute myeloid leukemia (AML) activities in vitro and in vivo.	Journal of medicinal chemistry 20120426