3793-5802 Screening compound: 2-[(2Z)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

3793-5802 Screening compound: 2-[(2Z)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
3793-5802 Screening compound: 2-[(2Z)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-[4-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3793-5802
2-[(2Z)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3793-5802

Molecular Formula

C16H18F3N3O2S (C16 H18 F3 N3 O2 S)

Compound Name

2-[(2Z)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-[(2Z)-3-ethyl-2-(ethylimino)-4-oxo-13-thiazolidin-5-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

SMILES

CCN(C(C(CC(Nc1ccc(C(F)(F)F)cc1)=O)S1)=O)/C1=N/CC

InChI

InChI=1S/C16H18F3N3O2S/c1-3-20-15-22(4-2)14(24)12(25-15)9-13(23)21-11-7-5-10(6-8-11)16(17,18)19/h5-8,12H,3-4,9H2,1-2H3,(H,21,23)/t12-/m0/s1

InChI Key

POUYHGGAOYKPBF-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD02080266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.361

Distribution Coefficient, logD

3.361

Water Solubility, LogSw

-3.59

Polar Surface Area

48.426

Acid Dissociation Constant (pKa)

12.06

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

3793-5802 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 3793-5802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3793-5802?
Check Price and Availability of 3793-5802, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3793-5802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3793-5802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3793-5802
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3793-5802 available by request