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ACY-957

CAT: 0127-BUP15137-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP15137-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1609389-52-7
Synonyms
HDAC Inhibitor C001
Purity
=98%
Smiles
Nc1ccc(cc1NC(=O)c1ccc2nc(ccc2c1)N1CCNCC1)-c1cccs1

Chemical Information

N-[2-Amino-5-(2-thienyl)phenyl]-2-(1-piperazinyl)-6-quinolinecarboxamide
CAS Number1609389-52-7
PubChem CID72374405
IUPAC NameN-(2-amino-5-thiophen-2-ylphenyl)-2-piperazin-1-ylquinoline-6-carboxamide
Molecular FormulaC24H23N5OS
Molecular Weight429.5
XLogP3.5
Topological Polar Surface Area112
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity615
SMILES
C1CN(CCN1)C2=NC3=C(C=C2)C=C(C=C3)C(=O)NC4=C(C=CC(=C4)C5=CC=CS5)N
InChI
InChI=1S/C24H23N5OS/c25-19-6-3-17(22-2-1-13-31-22)15-21(19)28-24(30)18-4-7-20-16(14-18)5-8-23(27-20)29-11-9-26-10-12-29/h1-8,13-15,26H,9-12,25H2,(H,28,30)
InChIKey
VURDNNVAYZDGDK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[2-Amino-5-(2-thienyl)phenyl]-2-(1-piperazinyl)-6-quinolinecarboxamide
CAS: 1609389-52-7
CID: 72374405
Formula: C24H23N5OS
MW: 429.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight429.5
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass429.16233155
Monoisotopic Mass429.16233155
Topological Polar Surface Area112 Ų
Heavy Atom Count31
Formal Charge0
Complexity615
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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Alternative Products

CatalogName
BA4125-5ACY-957
A19666-100ACY-957 100mg
A19666-2ACY-957 2mg
A19666-10ACY-957 10mg
A19666-25ACY-957 25mg
A19666-5ACY-957 5mg
A19666-50ACY-957 50mg
A19666-1ACY-957 1mg
A19666-10mM-DACY-957 10mM * 1mL in DMSO
MBS3601619-01BM-957

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