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TMP269 --- Class IIa HDAC Inhibitor

CAT: 0498-bs-60119C-01Size: 10 mM DMSO (0.389 mL)Dry Ice: NoHazardous: No
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CAT#:0498-bs-60119C-01Size:10 mM DMSO (0.389 mL)
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1314890-29-3
Conjugation
Unconjugated
Purity
98
Buffer
Powder
Solubility
DMSO up to 50 mM
Smiles
O=C(NCC1(CCOCC1)C1=NC(=CS1)C1C=CC=CC=1)C1C=CC=C(C=1)C1N=C(ON=1)C(F)(F)F
Molecular Formula
C25 H21 F3 N4 O3 S
Molecular Weight
514.52
InChI
InChI=1S/C25H21F3N4O3S/c26-25 (27,28) 22-31-20 (32-35-22) 17-7-4-8-18 (13-17) 21 (33) 29-15-24 (9-11-34-12-10-24) 23-30-19 (14-36-23) 16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2, (H,29,33)
Storage Conditions
Store in dry, dark place at -20C for 1 year.
Shelf Life
1 year
Appearance
Solid Power.

Chemical Information

Tmp269

TMP269 is a novel and selective class IIa histone deacetylase (HDAC) inhibitor.

CAS Number1314890-29-3
PubChem CID53344908
IUPAC NameN-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
Molecular FormulaC25H21F3N4O3S
Molecular Weight514.5
XLogP4.8
Topological Polar Surface Area118
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity749
SMILES
C1COCCC1(CNC(=O)C2=CC=CC(=C2)C3=NOC(=N3)C(F)(F)F)C4=NC(=CS4)C5=CC=CC=C5
InChI
InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)
InChIKey
HORXBWNTEDOVKN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tmp269
CAS: 1314890-29-3
CID: 53344908
Formula: C25H21F3N4O3S
MW: 514.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight514.5
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass514.12864620
Monoisotopic Mass514.12864620
Topological Polar Surface Area118 Ų
Heavy Atom Count36
Formal Charge0
Complexity749
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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