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CaCCinh-A01

CAT: 1568-C07015-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1568-C07015-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
407587-33-1
Synonyms
TMEM16 Blocker I
SKU
C07015-5mg
Target
Chloride Channel
Applications
Transmembrane Transporters
Smiles
CC (C) (C) C1CCC2=C (C1) SC (=C2C (=O) O) NC (=O) C3=CC=CO3
Molecular Formula
C18H21NO4S
Additionnal Information
CaCCinh-A01 (TMEM16 Blocker I) is a blocker of TMEM16A with IC50 of 2.1 μM. CaCCinh-A01 is also an inhibitor of calcium-activated chloride channel (CaCC) with IC50 of ~ 10 μM.
Storage Conditions
3 years -20°C powder

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
Loading 3D structure...
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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B5747-50CaCCinh-A01
A15469-100CaCCinh-A01 100mg
A15469-50CaCCinh-A01 50mg
HY-100611RCaCCinh-A01 (Standard)
A15469-5CaCCinh-A01 5mg
A15469-25CaCCinh-A01 25mg

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