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TH287

CAT: 0607-B5849-5.1Size: 10 mM (in 1mL DMSO)Dry Ice: NoHazardous: No
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CAT#:0607-B5849-5.1Size:10 mM (in 1mL DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MTH1 inhibitor
CAS Number
1609960-30-6
Product Name Alternative
6-(2,3-dichlorophenyl)-N4-methylpyrimidine-2,4-diamine
Field of Research
DNA Damage DNA Repair MTH1
Purity
0.9931
Form
A solid
Solubility
≥55.56 mg/mL in DMSO; insoluble in H2O; ≥2.33 mg/mL in EtOH with ultrasonic
Smiles
ClC1=C(Cl)C(C2=CC(NC)=NC(N)=N2)=CC=C1
Molecular Formula
C11H10Cl2N4
Molecular Weight
269.13
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

6-(2,3-Dichlorophenyl)-N4-methylpyrimidine-2,4-diamine
CAS Number1609960-30-6
PubChem CID73441664
IUPAC Name6-(2,3-dichlorophenyl)-4-N-methylpyrimidine-2,4-diamine
Molecular FormulaC11H10Cl2N4
Molecular Weight269.13
XLogP3.1
Topological Polar Surface Area63.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity254
SMILES
CNC1=NC(=NC(=C1)C2=C(C(=CC=C2)Cl)Cl)N
InChI
InChI=1S/C11H10Cl2N4/c1-15-9-5-8(16-11(14)17-9)6-3-2-4-7(12)10(6)13/h2-5H,1H3,(H3,14,15,16,17)
InChIKey
URWCXPXBBITYLR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(2,3-Dichlorophenyl)-N4-methylpyrimidine-2,4-diamine
CAS: 1609960-30-6
CID: 73441664
Formula: C11H10Cl2N4
MW: 269.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight269.13
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass268.0282517
Monoisotopic Mass268.0282517
Topological Polar Surface Area63.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity254
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
MBS386292-01TH287
HY-16965ATH287 (hydrochloride)
A15536-100TH287 100mg
MBS5756517TH287 hydrochloride
MBS131208-01TH287 HCl
A15536-50TH287 50mg
A15536-10TH287 10mg
A15536-2TH287 2mg
A15536-1TH287 1mg
A15536-25TH287 25mg

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