Products for Research Use Only
RegisterLogin

Tidembersat

CAT: 0804-HY-118182-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-118182-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Tidembersat (Example 4) is a benzopyran derivative that can be used in the research of a variety of CNS disorders and traumatic brain injury[1].
CAS Number
175013-73-7
UNSPSC
12352005
Target
Others
Type
Reference compound
Related Pathways
Others
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/tidembersat.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=CC(F)=CC(F)=C1)N[C@H]2C3=CC(C(C)=O)=CC=C3OC(C)([C@@H]2O)C
Molecular Formula
C20H19F2NO4
Molecular Weight
375.37
References & Citations
[1]Wai Ngor Chan, et al. Benzopyrans and their use as therapeutic agents. WO1995034545A1. 1995.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 1

Chemical Information

Tidembersat

Tidembersat is a small molecule drug. Tidembersat has a monoisotopic molecular weight of 375.13 Da.

CAS Number175013-73-7
PubChem CID170378
IUPAC NameN-[(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3,5-difluorobenzamide
Molecular FormulaC20H19F2NO4
Molecular Weight375.4
XLogP2.4
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity574
SMILES
CC(=O)C1=CC2=C(C=C1)OC([C@@H]([C@H]2NC(=O)C3=CC(=CC(=C3)F)F)O)(C)C
InChI
InChI=1S/C20H19F2NO4/c1-10(24)11-4-5-16-15(8-11)17(18(25)20(2,3)27-16)23-19(26)12-6-13(21)9-14(22)7-12/h4-9,17-18,25H,1-3H3,(H,23,26)/t17-,18+/m0/s1
InChIKey
NWHCDESSIHFNIJ-ZWKOTPCHSA-N
Chemical Structure
2D Structure
2D structure of Tidembersat
CAS: 175013-73-7
CID: 170378
Formula: C20H19F2NO4
MW: 375.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.4
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass375.12821441
Monoisotopic Mass375.12821441
Topological Polar Surface Area75.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity574
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5789683Tidembersat

Popular Products