Products for Research Use Only
RegisterLogin

LEI-800

CAT: 0931-T88679-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T88679-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
3040218-10-5
Target
DNA/RNA Synthesis, Antibacterial
Related Pathways
Cell Cycle/Checkpoint, Microbiology/Virology, DNA Damage/DNA Repair
Bioactivity
LEI-800, a DNA gyrase inhibitor, exhibits its potency with an IC50 value of 35 nM. This compound has significant antibacterial activity, demonstrated by MIC values of 3.1 μM and 6.25 μM against Escherichia coli and Klebsiella pneumoniae, respectively.
Smiles
S(NC[C@H]1N[C@H](CC1)C2=CC=C(C=C2)C=3C=CC=NC3)(=O)(=O)C=4C5=C(C=CC4)C=NC=C5
Molecular Formula
C25H24N4O2S
Molecular Weight
444.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 171662160
CAS Number3040218-10-5
PubChem CID171662160
IUPAC NameN-[[(2S,5R)-5-(4-pyridin-3-ylphenyl)pyrrolidin-2-yl]methyl]isoquinoline-5-sulfonamide
Molecular FormulaC25H24N4O2S
Molecular Weight444.6
XLogP3.3
Topological Polar Surface Area92.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity703
SMILES
C1C[C@@H](N[C@@H]1CNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)C4=CC=C(C=C4)C5=CN=CC=C5
InChI
InChI=1S/C25H24N4O2S/c30-32(31,25-5-1-3-21-16-27-14-12-23(21)25)28-17-22-10-11-24(29-22)19-8-6-18(7-9-19)20-4-2-13-26-15-20/h1-9,12-16,22,24,28-29H,10-11,17H2/t22-,24+/m0/s1
InChIKey
WDMXDRLBFHUECN-LADGPHEKSA-N
Chemical Structure
2D Structure
2D structure of CID 171662160
CAS: 3040218-10-5
CID: 171662160
Formula: C25H24N4O2S
MW: 444.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.6
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass444.16199719
Monoisotopic Mass444.16199719
Topological Polar Surface Area92.4 Ų
Heavy Atom Count32
Formal Charge0
Complexity703
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T27811-01LEI-106
T69577-01LEI-301
T38001LEI-401
T27809-01LEI-101
TP2007Lei-Dab7
T69732-01LEI 101 hydrochloride
T75946-01Lei-Dab7 TFA
T25367-01EM-800
T64529-01MDL-800
T19054-01Rhodamine 800

Alternative Products

CatalogName
GTR19236358-01LEI-800
HY-P1424Lei-Dab7
112027LEI-110
535251LEI-301
7407/10LEI 401
MBS5802636LEI-401
MBS5777516LEI-106
GTR19197284-01LEI-101
HY-163092LEI-515
HY-P1424A-01Lei-Dab7 (TFA)

Popular Products