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BML-210

CAT: 0926-MWA03417-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-MWA03417-01Size:25 mg
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CAS Number
537034-17-6
MDL Number
MFCD08062139
Smiles
C1=CC=C (C=C1) NC (=O) CCCCCCC (=O) NC2=CC=CC=C2N
Molecular Formula
C20H25N3O2
Molecular Weight
339.43 g/mol
Controlled
No

Chemical Information

N1-(2-aminophenyl)-N8-phenyloctanediamide

BML-210 is a dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and 1,2-diaminobenzene. It has a role as an antineoplastic agent and an EC 3.5.1.98 (histone deacetylase) inhibitor. It is functionally related to a suberic acid.

CAS Number537034-17-6
PubChem CID9543540
IUPAC NameN'-(2-aminophenyl)-N-phenyloctanediamide
Molecular FormulaC20H25N3O2
Molecular Weight339.4
XLogP3
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count25
Formal Charge0
Complexity408
SMILES
C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NC2=CC=CC=C2N
InChI
InChI=1S/C20H25N3O2/c21-17-12-8-9-13-18(17)23-20(25)15-7-2-1-6-14-19(24)22-16-10-4-3-5-11-16/h3-5,8-13H,1-2,6-7,14-15,21H2,(H,22,24)(H,23,25)
InChIKey
RFLHBLWLFUFFDZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N1-(2-aminophenyl)-N8-phenyloctanediamide
CAS: 537034-17-6
CID: 9543540
Formula: C20H25N3O2
MW: 339.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight339.4
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass339.19467705
Monoisotopic Mass339.19467705
Topological Polar Surface Area84.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity408
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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