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CaCCinh-A01

CAT: 1410-M17503-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M17503-01Size:5 mg
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Description
CaCCinh-A01 is an inhibitor of the calcium-activated chloride channel (CaCC, 10 μM) and TMEM16A (IC50: 2.1 μM) .
CAS Number
407587-33-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
347.43
Molecular Formula
C18H21NO4S
Notes
Research use only, not for human use.
Receptor
TMEM16A|CaCC

Chemical Information

6-t-Butyl-2-(furan-2-carboxamido)-4,5,6,7-tetrahydrobenzo(b)thiophene-3-carboxylic acid

a calcium-activated chloride channel inhibitor; structure in first source

CAS Number407587-33-1
PubChem CID2898877
IUPAC Name6-tert-butyl-2-(furan-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Molecular FormulaC18H21NO4S
Molecular Weight347.4
XLogP5.1
Topological Polar Surface Area108
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity504
SMILES
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)O)NC(=O)C3=CC=CO3
InChI
InChI=1S/C18H21NO4S/c1-18(2,3)10-6-7-11-13(9-10)24-16(14(11)17(21)22)19-15(20)12-5-4-8-23-12/h4-5,8,10H,6-7,9H2,1-3H3,(H,19,20)(H,21,22)
InChIKey
ACLUEOBQFRYTQS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-t-Butyl-2-(furan-2-carboxamido)-4,5,6,7-tetrahydrobenzo(b)thiophene-3-carboxylic acid
CAS: 407587-33-1
CID: 2898877
Formula: C18H21NO4S
MW: 347.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight347.4
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass347.11912932
Monoisotopic Mass347.11912932
Topological Polar Surface Area108 Ų
Heavy Atom Count24
Formal Charge0
Complexity504
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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