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SKLB4771

CAT: 0607-BA3160-2Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0607-BA3160-2Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1370256-78-2
Form
A solid
Molecular Formula
C25H27N7O3S2
Molecular Weight
537.66
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

1-(5-(7-(3-Morpholinopropoxy)quinazolin-4-ylthio)-(1,3,4)thiadiazol-2-yl)-3-p-tolylurea

an FLT3 inhibitor with antineoplastic activity; structure in first source

CAS Number1370256-78-2
PubChem CID57412684
IUPAC Name1-(4-methylphenyl)-3-[5-[7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]sulfanyl-1,3,4-thiadiazol-2-yl]urea
Molecular FormulaC25H27N7O3S2
Molecular Weight537.7
XLogP4
Topological Polar Surface Area168
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity712
SMILES
CC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)SC3=NC=NC4=C3C=CC(=C4)OCCCN5CCOCC5
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)
InChIKey
LKXFSTAQMOENSC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(5-(7-(3-Morpholinopropoxy)quinazolin-4-ylthio)-(1,3,4)thiadiazol-2-yl)-3-p-tolylurea
CAS: 1370256-78-2
CID: 57412684
Formula: C25H27N7O3S2
MW: 537.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight537.7
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass537.16168010
Monoisotopic Mass537.16168010
Topological Polar Surface Area168 Ų
Heavy Atom Count37
Formal Charge0
Complexity712
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19172500-01SKLB4771
S1099-2mgSKLB4771 (FLT3-IN-1)

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