4052-4344 Screening compound: 2-(2-methoxyphenyl)-3-[3-(trifluoromethyl)benzenesulfonyl]-1,3-thiazolidine

4052-4344 Screening compound: 2-(2-methoxyphenyl)-3-[3-(trifluoromethyl)benzenesulfonyl]-1,3-thiazolidine
4052-4344 Screening compound: 2-(2-methoxyphenyl)-3-[3-(trifluoromethyl)benzenesulfonyl]-1,3-thiazolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4052-4344
2-(2-methoxyphenyl)-3-[3-(trifluoromethyl)benzenesulfonyl]-1,3-thiazolidine

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

4052-4344

Molecular Formula

C17H16F3NO3S2 (C17 H16 F3 NO3 S2)

Compound Name

2-(2-methoxyphenyl)-3-[3-(trifluoromethyl)benzenesulfonyl]-1,3-thiazolidine

IUPAC name

2-(2-methoxyphenyl)-3-[3-(trifluoromethyl)benzenesulfonyl]-13-thiazolidine

SMILES

COc1c(C2SCCN2S(c2cc(C(F)(F)F)ccc2)(=O)=O)cccc1

InChI

InChI=1S/C17H16F3NO3S2/c1-24-15-8-3-2-7-14(15)16-21(9-10-25-16)26(22,23)13-6-4-5-12(11-13)17(18,19)20/h2-8,11,16H,9-10H2,1H3/t16-/m0/s1

InChI Key

IANULKJFHGLGOX-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02580003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.337

Distribution Coefficient, logD

4.337

Water Solubility, LogSw

-4.41

Polar Surface Area

40.147

Acid Dissociation Constant (pKa)

26.34

Base Dissociation Constant (pKb)

-11.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

4052-4344 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4052-4344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4052-4344?
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What is the minimum amount of 4052-4344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4052-4344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4052-4344
  • 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 4052-4344 available by request