Products for Research Use Only
RegisterLogin

ML116

CAT: 0931-T8597-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T8597-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
744270-00-6
Target
STAT
Related Pathways
Stem Cells, JAK/STAT signaling
Purity
0.9994
Bioactivity
ML116 is a potent and selective STAT3 inhibitor.
Smiles
C(C1CCN(C2=C3C(SC=C3)=NC=N2)CC1)C4=CC=CC=C4
Molecular Formula
C18H19N3S
Molecular Weight
309.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-Benzyl-1-(thieno(2,3-d)pyrimidin-4-yl)piperidine

4-[4-(phenylmethyl)-1-piperidinyl]thieno[2,3-d]pyrimidine is a thienopyrimidine and a member of piperidines.

CAS Number744270-00-6
PubChem CID2100018
IUPAC Name4-(4-benzylpiperidin-1-yl)thieno[2,3-d]pyrimidine
Molecular FormulaC18H19N3S
Molecular Weight309.4
XLogP4.7
Topological Polar Surface Area57.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity350
SMILES
C1CN(CCC1CC2=CC=CC=C2)C3=C4C=CSC4=NC=N3
InChI
InChI=1S/C18H19N3S/c1-2-4-14(5-3-1)12-15-6-9-21(10-7-15)17-16-8-11-22-18(16)20-13-19-17/h1-5,8,11,13,15H,6-7,9-10,12H2
InChIKey
AJQCKNBBHOVJGO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Benzyl-1-(thieno(2,3-d)pyrimidin-4-yl)piperidine
CAS: 744270-00-6
CID: 2100018
Formula: C18H19N3S
MW: 309.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight309.4
XLogP34.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass309.12996879
Monoisotopic Mass309.12996879
Topological Polar Surface Area57.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity350
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

Related Products

CatalogName
T35544-01ML115

Alternative Products

CatalogName
BUP09254-01ML116

Popular Products