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U 89674

CAT: 0931-T70627-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T70627-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
144674-89-5
Target
Others
Related Pathways
Others
Bioactivity
U 89674 is a non-nucleoside reverse transcriptase inhibitor used for the prevention of the spread of HIV-1 infection.
Smiles
N(C(C)C)C1=C(N=CC=C1)N2CCN(C(=O)C3=CC=4C(N3)=CC=C(N=CN(C)C)C4)CC2
Molecular Formula
C24H31N7O
Molecular Weight
433.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N,N-dimethyl-N'-[2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]-1H-indol-5-yl]methanimidamide
CAS Number144674-89-5
PubChem CID454922
IUPAC NameN,N-dimethyl-N'-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-1H-indol-5-yl]methanimidamide
Molecular FormulaC24H31N7O
Molecular Weight433.5
XLogP3.1
Topological Polar Surface Area79.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity646
SMILES
CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)N=CN(C)C
InChI
InChI=1S/C24H31N7O/c1-17(2)27-21-6-5-9-25-23(21)30-10-12-31(13-11-30)24(32)22-15-18-14-19(26-16-29(3)4)7-8-20(18)28-22/h5-9,14-17,27-28H,10-13H2,1-4H3
InChIKey
MQLULHDHQQQZQU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N,N-dimethyl-N'-[2-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]-1H-indol-5-yl]methanimidamide
CAS: 144674-89-5
CID: 454922
Formula: C24H31N7O
MW: 433.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.5
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass433.25900864
Monoisotopic Mass433.25900864
Topological Polar Surface Area79.9 Ų
Heavy Atom Count32
Formal Charge0
Complexity646
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

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CatalogName
GTR19209448-01U 89674

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