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MI-nc (hydrochloride)

CAT: 0607-C3379-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-C3379-25Size:25 mg
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Description
weak inhibitor of menin-MLL interaction
CAS Number
1934302-23-4
Product Name Alternative
6-ethyl-4-[4-(1,3,4-thiadiazol-2-yl)-1-piperazinyl]-thieno[2,3-d]pyrimidine, dihydrochloride​
Field of Research
Others Menin-MLL
Purity
0.98
Form
A crystalline solid
Solubility
≤0.1mg/ml in ethanol;1.3mg/ml in DMSO;0.5mg/ml in dimethyl formamide
Smiles
CCC(S1)=CC(C1=NC=N2)=C2N3CCN(C4=NN=CS4)CC3.Cl.Cl
Molecular Formula
C14H16N6S2·2HCl
Molecular Weight
405.4
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

MI-nc (hydrochloride)
CAS Number1934302-23-4
PubChem CID132989422
IUPAC Name6-ethyl-4-[4-(1,3,4-thiadiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine;dihydrochloride
Molecular FormulaC14H18Cl2N6S2
Molecular Weight405.4
Topological Polar Surface Area115
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity378
SMILES
CCC1=CC2=C(N=CN=C2S1)N3CCN(CC3)C4=NN=CS4.Cl.Cl
InChI
InChI=1S/C14H16N6S2.2ClH/c1-2-10-7-11-12(15-8-16-13(11)22-10)19-3-5-20(6-4-19)14-18-17-9-21-14;;/h7-9H,2-6H2,1H3;2*1H
InChIKey
QFOIGNCIUPMVOO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MI-nc (hydrochloride)
CAS: 1934302-23-4
CID: 132989422
Formula: C14H18Cl2N6S2
MW: 405.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass404.0411423
Monoisotopic Mass404.0411423
Topological Polar Surface Area115 Ų
Heavy Atom Count24
Formal Charge0
Complexity378
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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CatalogName
B2816-1MI-nc (hydrochloride)
HY-107772NC-1175 (hydrochloride)
T22978-01MI-2 (hydrochloride)
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HY-134921-01MI-nc (dihydrochloride)
GTR19231904NC-p38i NC-37
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HY-118138NC-182
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