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WR99210

CAT: 0931-T17257-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T17257-02Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
47326-86-3
Target
DHFR, Parasite
Related Pathways
Metabolism, Microbiology/Virology, Cell Cycle/Checkpoint, DNA Damage/DNA Repair
Purity
0.988
Bioactivity
WR99210 (BRL 6231 free base) is an orally available dihydrofolate reductase (DHFR) inhibitor with antiparasitic activity, often used in combination with dapsone to study Mycobacterium avium complex (MAC) .
Smiles
ClC=1C=C(Cl)C(OCCCON2C(=NC(=NC2(C)C)N)N)=CC1Cl
Molecular Formula
C14H18Cl3N5O2
Molecular Weight
394.68
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6,6-Dimethyl-1-(3-(2,4,5-trichlorophenoxy)propoxy)-1,6-dihydro-1,3,5-triazine-2,4-diamine
CAS Number47326-86-3
PubChem CID121750
IUPAC Name6,6-dimethyl-1-[3-(2,4,5-trichlorophenoxy)propoxy]-1,3,5-triazine-2,4-diamine
Molecular FormulaC14H18Cl3N5O2
Molecular Weight394.7
XLogP2.8
Topological Polar Surface Area98.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity503
SMILES
CC1(N=C(N=C(N1OCCCOC2=CC(=C(C=C2Cl)Cl)Cl)N)N)C
InChI
InChI=1S/C14H18Cl3N5O2/c1-14(2)21-12(18)20-13(19)22(14)24-5-3-4-23-11-7-9(16)8(15)6-10(11)17/h6-7H,3-5H2,1-2H3,(H4,18,19,20,21)
InChIKey
MJZJYWCQPMNPRM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6,6-Dimethyl-1-(3-(2,4,5-trichlorophenoxy)propoxy)-1,6-dihydro-1,3,5-triazine-2,4-diamine
CAS: 47326-86-3
CID: 121750
Formula: C14H18Cl3N5O2
MW: 394.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.7
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass393.052608
Monoisotopic Mass393.052608
Topological Polar Surface Area98.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity503
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
MBS3843297-01WR99210
A18837-50WR99210 50mg
A18837-5WR99210 5mg
A18837-1WR99210 1mg
A18837-500WR99210 500mg
A18837-100WR99210 100mg
A18837-25WR99210 25mg
A18837-10WR99210 10mg
FBA71193-01Wr99210 hydrochloride
HY-116387A-01WR99210 (hydrochloride)

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