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ACY-957

CAT: 0931-T10245-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T10245-02Size:2 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
Target
HDAC
Related Pathways
DNA Damage/DNA Repair, Chromatin/Epigenetic
Purity
0.9979
Bioactivity
ACY-957 (HDAC Inhibitor C001) is an orally active and selective inhibitor of HDAC1 and HDAC2 (IC50s: 7 nM, 18 nM, and 1300 nM against HDAC1/2/3) and shows no inhibition on HDAC4/5/6/7/8/9.
Smiles
Nc1ccc(cc1NC(=O)c1ccc2nc(ccc2c1)N1CCNCC1)-c1cccs1
Molecular Formula
C24H23N5OS
Molecular Weight
429.54
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
Loading 3D structure...
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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