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Antifungal agent 107

CAT: 0931-T89494-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T89494-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2684411-12-7
Bioactivity
Antifungalagent 107 (compound b24) serves as an OSBP inhibitor with antifungal properties. It is employed in the prevention and control of downy mildew in greenhouse cucumbers and late blight in potatoes.
Smiles
O=C(N1CCC(C2=NC(=CS2)C3=NOC(C=4C(F)=CC=CC4F)C3)CC1)CN5C=C(F)C=6C=CC=CC65
Molecular Formula
C27H23F3N4O2S
Molecular Weight
524.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Antifungal agent 107
CAS Number2684411-12-7
PubChem CID172419480
IUPAC Name1-[4-[4-[5-(2,6-difluorophenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl]piperidin-1-yl]-2-(3-fluoroindol-1-yl)ethanone
Molecular FormulaC27H23F3N4O2S
Molecular Weight524.6
XLogP5
Topological Polar Surface Area88
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count37
Formal Charge0
Complexity850
SMILES
C1CN(CCC1C2=NC(=CS2)C3=NOC(C3)C4=C(C=CC=C4F)F)C(=O)CN5C=C(C6=CC=CC=C65)F
InChI
InChI=1S/C27H23F3N4O2S/c28-18-5-3-6-19(29)26(18)24-12-21(32-36-24)22-15-37-27(31-22)16-8-10-33(11-9-16)25(35)14-34-13-20(30)17-4-1-2-7-23(17)34/h1-7,13,15-16,24H,8-12,14H2
InChIKey
XJUVNTFRBHKSKP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Antifungal agent 107
CAS: 2684411-12-7
CID: 172419480
Formula: C27H23F3N4O2S
MW: 524.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight524.6
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass524.14938165
Monoisotopic Mass524.14938165
Topological Polar Surface Area88 Ų
Heavy Atom Count37
Formal Charge0
Complexity850
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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