Products for Research Use Only

MLK-IN-1

CAT: 0607-BA6508-10Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0607-BA6508-10Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1627729-62-7
Form
A solid
Molecular Formula
C23H20N4O3S
Molecular Weight
432.49
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Mlk-IN-1
CAS Number1627729-62-7
PubChem CID90388209
IUPAC NameN-(3,4-dimethoxyphenyl)-3-(7-methoxy-1-benzothiophen-2-yl)imidazo[1,2-b]pyridazin-6-amine
Molecular FormulaC23H20N4O3S
Molecular Weight432.5
XLogP4.8
Topological Polar Surface Area98.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity601
SMILES
COC1=C(C=C(C=C1)NC2=NN3C(=NC=C3C4=CC5=C(S4)C(=CC=C5)OC)C=C2)OC
InChI
InChI=1S/C23H20N4O3S/c1-28-17-8-7-15(12-19(17)30-3)25-21-9-10-22-24-13-16(27(22)26-21)20-11-14-5-4-6-18(29-2)23(14)31-20/h4-13H,1-3H3,(H,25,26)
InChIKey
NTIXYCZKSHEEOH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mlk-IN-1
CAS: 1627729-62-7
CID: 90388209
Formula: C23H20N4O3S
MW: 432.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight432.5
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass432.12561169
Monoisotopic Mass432.12561169
Topological Polar Surface Area98.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity601
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