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MI-2

CAT: 0607-A3602-5.1Size: 10 mM (in 1mL DMSO)Dry Ice: NoHazardous: No
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CAT#:0607-A3602-5.1Size:10 mM (in 1mL DMSO)
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Description
Menin-MLL Inhibitor
CAS Number
1271738-62-5
Product Name Alternative
4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-propylthieno[2,3-d]pyrimidine
Sequence
Menin-MLL inhibitor 2;Thieno[2,3-d]pyrimidine, 4-[4-(4,5-dihydro-5,5-dimethyl-2-thiazolyl)-1-piperazinyl]-6-propyl-
Field of Research
Others Menin-MLL
Purity
0.9977
Form
A solid
Solubility
insoluble in H2O; ≥15.1 mg/mL in DMSO; ≥46.4 mg/mL in EtOH with gentle warming
Smiles
CCCC1=CC2=C(N=CN=C2S1)N3CCN(CC3)C4=NCC(S4)(C)C
Molecular Formula
C18H25N5S2
Molecular Weight
375.55
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

4-(4-(5,5-Dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-propylthieno[2,3-d]pyrimidine

4-[4-(5,5-dimethyl-4H-thiazol-2-yl)-1-piperazinyl]-6-propylthieno[2,3-d]pyrimidine is a thienopyrimidine and a N-arylpiperazine.

CAS Number1271738-62-5
PubChem CID54765302
IUPAC Name4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-6-propylthieno[2,3-d]pyrimidine
Molecular FormulaC18H25N5S2
Molecular Weight375.6
XLogP3.7
Topological Polar Surface Area98.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity504
SMILES
CCCC1=CC2=C(N=CN=C2S1)N3CCN(CC3)C4=NCC(S4)(C)C
InChI
InChI=1S/C18H25N5S2/c1-4-5-13-10-14-15(20-12-21-16(14)24-13)22-6-8-23(9-7-22)17-19-11-18(2,3)25-17/h10,12H,4-9,11H2,1-3H3
InChIKey
SRQYLNYQAPCPIR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-(5,5-Dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-propylthieno[2,3-d]pyrimidine
CAS: 1271738-62-5
CID: 54765302
Formula: C18H25N5S2
MW: 375.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight375.6
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass375.15513817
Monoisotopic Mass375.15513817
Topological Polar Surface Area98.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity504
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