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BCP-T.A

CAT: 0013-GTR19185753-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185753-01Size:1 mg
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Description
BCP-T.A
CAS Number
2786829-70-5
Product Name Alternative
GPX4, Ferroptosis
Field of Research
Cell Biology, Metabolism Research
Purity
99.49% (May vary between batches)
Smiles
O=C (C=1N=C (C#C) SC1) N2CCN (CC2) C (C3=CC=C (Cl) C=C3) C4=CC=C (Cl) C=C4
Molecular Formula
C23H19Cl2N3OS
Molecular Weight
456.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bcp-T.A
CAS Number2786829-70-5
PubChem CID164946731
IUPAC Name[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-(2-ethynyl-1,3-thiazol-4-yl)methanone
Molecular FormulaC23H19Cl2N3OS
Molecular Weight456.4
XLogP5.3
Topological Polar Surface Area64.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity610
SMILES
C#CC1=NC(=CS1)C(=O)N2CCN(CC2)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C23H19Cl2N3OS/c1-2-21-26-20(15-30-21)23(29)28-13-11-27(12-14-28)22(16-3-7-18(24)8-4-16)17-5-9-19(25)10-6-17/h1,3-10,15,22H,11-14H2
InChIKey
XWHYWEHRTWXUFV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bcp-T.A
CAS: 2786829-70-5
CID: 164946731
Formula: C23H19Cl2N3OS
MW: 456.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.4
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass455.0625888
Monoisotopic Mass455.0625888
Topological Polar Surface Area64.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity610
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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