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FtsZ-IN-2

CAT: 0931-T63370-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T63370-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2249757-45-5
Target
Others, Antibacterial
Related Pathways
Others, Microbiology/Virology
Bioactivity
FtsZ-IN-2 is an inhibitor of the bacterial cytokinin FtsZ and has an inhibitory effect on GTPase activity. ftsZ-IN-2 exhibited anti-staphylococcal effects with MIC values of 2 μg/ml for both MSSA and MRSA.
Smiles
C(CN1CCN(CC2=CC=C(C(C)C)C=C2)CCC1)C3=CC(=NC(=N3)C=4C=CN=CC4)C5=CC=CS5
Molecular Formula
C30H35N5S
Molecular Weight
497.7
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

FtsZ-IN-2
CAS Number2249757-45-5
PubChem CID155560904
IUPAC Name1-[(4-propan-2-ylphenyl)methyl]-4-[2-(2-pyridin-4-yl-6-thiophen-2-ylpyrimidin-4-yl)ethyl]-1,4-diazepane
Molecular FormulaC30H35N5S
Molecular Weight497.7
XLogP5.3
Topological Polar Surface Area73.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity633
SMILES
CC(C)C1=CC=C(C=C1)CN2CCCN(CC2)CCC3=CC(=NC(=N3)C4=CC=NC=C4)C5=CC=CS5
InChI
InChI=1S/C30H35N5S/c1-23(2)25-8-6-24(7-9-25)22-35-16-4-15-34(18-19-35)17-12-27-21-28(29-5-3-20-36-29)33-30(32-27)26-10-13-31-14-11-26/h3,5-11,13-14,20-21,23H,4,12,15-19,22H2,1-2H3
InChIKey
HHBJKRDUQQNPIJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of FtsZ-IN-2
CAS: 2249757-45-5
CID: 155560904
Formula: C30H35N5S
MW: 497.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight497.7
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass497.26131731
Monoisotopic Mass497.26131731
Topological Polar Surface Area73.4 Ų
Heavy Atom Count36
Formal Charge0
Complexity633
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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