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IKIX1

CAT: 0931-T8722-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T8722-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
656222-54-7
Target
Antifungal
Related Pathways
Microbiology/Virology
Purity
0.9963
Bioactivity
IKIX1 is an Pdr1-dependent gene activation. It re-sensitizes drug-resistant C. glabrata to azole antifungals in vitro and in animal models for disseminated and urinary tract C. glabrata infection.
Smiles
Clc1ccc(NC(=S)NNC(=O)CC#N)cc1Cl
Molecular Formula
C10H8Cl2N4OS
Molecular Weight
303.17
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

iKIX1
CAS Number656222-54-7
PubChem CID2803648
IUPAC Name1-[(2-cyanoacetyl)amino]-3-(3,4-dichlorophenyl)thiourea
Molecular FormulaC10H8Cl2N4OS
Molecular Weight303.17
XLogP2.1
Topological Polar Surface Area109
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity370
SMILES
C1=CC(=C(C=C1NC(=S)NNC(=O)CC#N)Cl)Cl
InChI
InChI=1S/C10H8Cl2N4OS/c11-7-2-1-6(5-8(7)12)14-10(18)16-15-9(17)3-4-13/h1-2,5H,3H2,(H,15,17)(H2,14,16,18)
InChIKey
XKQJVBSDCOCZFV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of iKIX1
CAS: 656222-54-7
CID: 2803648
Formula: C10H8Cl2N4OS
MW: 303.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight303.17
XLogP32.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass301.9795875
Monoisotopic Mass301.9795875
Topological Polar Surface Area109 Ų
Heavy Atom Count18
Formal Charge0
Complexity370
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
M22638-01IKIX1

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