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B10-S

CAT: 0013-GTR19185364-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185364-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
B10-S is a potent small molecule inhibitor of mast cell degranulation, effectively blocking the release of allergens induced by substance P. This anti-allergenic agent is a valuable research tool for studying mast cell biology and allergic responses in both in vitro and in vivo experimental models.
CAS Number
2210238-26-7
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
Storage Conditions
-20°C
Notes
For research use only.

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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