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B10-S

CAT: 0931-T63298-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T63298-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2210238-26-7
Target
Others
Related Pathways
Others
Bioactivity
B10-S is a potent anti-allergenic agent that inhibits LAD2 degranulation induced by P substances.
Smiles
O=C1C=2C(=CC(SC3=CC=C(NC(NC4=CC(C(F)(F)F)=C(Cl)C=C4)=O)C=C3)=CC2)NC=N1
Molecular Formula
C22H14ClF3N4O2S
Molecular Weight
490.89
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(4-oxo-3H-quinazolin-7-yl)sulfanyl]phenyl]urea
CAS Number2210238-26-7
PubChem CID148732092
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(4-oxo-3H-quinazolin-7-yl)sulfanyl]phenyl]urea
Molecular FormulaC22H14ClF3N4O2S
Molecular Weight490.9
XLogP4.9
Topological Polar Surface Area108
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity748
SMILES
C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)SC3=CC4=C(C=C3)C(=O)NC=N4
InChI
InChI=1S/C22H14ClF3N4O2S/c23-18-8-3-13(9-17(18)22(24,25)26)30-21(32)29-12-1-4-14(5-2-12)33-15-6-7-16-19(10-15)27-11-28-20(16)31/h1-11H,(H,27,28,31)(H2,29,30,32)
InChIKey
OBECMFGOFVDBRH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(4-oxo-3H-quinazolin-7-yl)sulfanyl]phenyl]urea
CAS: 2210238-26-7
CID: 148732092
Formula: C22H14ClF3N4O2S
MW: 490.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight490.9
XLogP34.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass490.0478091
Monoisotopic Mass490.0478091
Topological Polar Surface Area108 Ų
Heavy Atom Count33
Formal Charge0
Complexity748
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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