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CFM 4

CAT: 0607-B7760-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B7760-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Interferes with CARP-1 binding to APC-2
CAS Number
331458-02-7
Product Name Alternative
1-(2-chlorobenzyl)-5'-phenyl-3'H-spiro[indoline-3,2'-[1,3,4]thiadiazol]-2-one
Field of Research
Apoptosis Apoptosis Inducers
Form
Beige solid
Solubility
<8.12mg/ml in DMSO
Smiles
ClC1=CC=CC=C1CN2C3=CC=CC=C3C4(NN=C(S4)C5=CC=CC=C5)C2=O
Molecular Formula
C22H16ClN3OS
Molecular Weight
405.9
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

1-[(2-Chlorophenyl)methyl]-5'-phenyl-spiro[3H-indole-3,2'(3'H)-[1,3,4]thiadiazol]-2(1H)-one
CAS Number331458-02-7
PubChem CID2871439
IUPAC Name1'-[(2-chlorophenyl)methyl]-5-phenylspiro[3H-1,3,4-thiadiazole-2,3'-indole]-2'-one
Molecular FormulaC22H16ClN3OS
Molecular Weight405.9
XLogP5.4
Topological Polar Surface Area70
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity637
SMILES
C1=CC=C(C=C1)C2=NNC3(S2)C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5Cl
InChI
InChI=1S/C22H16ClN3OS/c23-18-12-6-4-10-16(18)14-26-19-13-7-5-11-17(19)22(21(26)27)25-24-20(28-22)15-8-2-1-3-9-15/h1-13,25H,14H2
InChIKey
PMADITKBVODKSF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[(2-Chlorophenyl)methyl]-5'-phenyl-spiro[3H-indole-3,2'(3'H)-[1,3,4]thiadiazol]-2(1H)-one
CAS: 331458-02-7
CID: 2871439
Formula: C22H16ClN3OS
MW: 405.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.9
XLogP35.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass405.0702610
Monoisotopic Mass405.0702610
Topological Polar Surface Area70 Ų
Heavy Atom Count28
Formal Charge0
Complexity637
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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