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NCT-10b

CAT: 0013-GTR19198831-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198831-01Size:25 mg
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Description
NCT-10b is a potent and selective HDAC6 inhibitor used in biochemical and cellular research. It is a valuable tool for studying HDAC6's role in oncology, neurology, and immunology, with applications in both in vitro assays and in vivo disease models.
CAS Number
908860-09-3
Smiles
[C@H] (C (NC1CCCC1) =O) (NC (OC (C) (C) C) =O) CCCCCSC (C (C) C) =O
Molecular Formula
C21H38N2O4S
Molecular Weight
414.6
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

S-[(6S)-7-(cyclopentylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptyl] 2-methylpropanethioate
CAS Number908860-09-3
PubChem CID11844737
IUPAC NameS-[(6S)-7-(cyclopentylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptyl] 2-methylpropanethioate
Molecular FormulaC21H38N2O4S
Molecular Weight414.6
XLogP4.5
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Heavy Atom Count28
Formal Charge0
Complexity511
SMILES
CC(C)C(=O)SCCCCC[C@@H](C(=O)NC1CCCC1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C21H38N2O4S/c1-15(2)19(25)28-14-10-6-7-13-17(23-20(26)27-21(3,4)5)18(24)22-16-11-8-9-12-16/h15-17H,6-14H2,1-5H3,(H,22,24)(H,23,26)/t17-/m0/s1
InChIKey
LZJZURNPUBZJAF-KRWDZBQOSA-N
Chemical Structure
2D Structure
2D structure of S-[(6S)-7-(cyclopentylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxoheptyl] 2-methylpropanethioate
CAS: 908860-09-3
CID: 11844737
Formula: C21H38N2O4S
MW: 414.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.6
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Exact Mass414.25522887
Monoisotopic Mass414.25522887
Topological Polar Surface Area110 Ų
Heavy Atom Count28
Formal Charge0
Complexity511
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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