4052-3257 Screening compound: 3-(4-methylbenzenesulfonyl)-2-(trichloromethyl)-1,3-oxazolidine

4052-3257 Screening compound: 3-(4-methylbenzenesulfonyl)-2-(trichloromethyl)-1,3-oxazolidine
4052-3257 Screening compound: 3-(4-methylbenzenesulfonyl)-2-(trichloromethyl)-1,3-oxazolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4052-3257
3-(4-methylbenzenesulfonyl)-2-(trichloromethyl)-1,3-oxazolidine

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

4052-3257

Molecular Formula

C11H12Cl3NO3S (C11 H12 Cl3 NO3 S)

Compound Name

3-(4-methylbenzenesulfonyl)-2-(trichloromethyl)-1,3-oxazolidine

IUPAC name

3-(4-methylbenzenesulfonyl)-2-(trichloromethyl)-13-oxazolidine

SMILES

Cc(cc1)ccc1S(N1C(C(Cl)(Cl)Cl)OCC1)(=O)=O

InChI

InChI=1S/C11H12Cl3NO3S/c1-8-2-4-9(5-3-8)19(16,17)15-6-7-18-10(15)11(12,13)14/h2-5,10H,6-7H2,1H3/t10-/m0/s1

InChI Key

DMWYFTFGYLAAPO-JTQLQIEISA-N

MDL Number (MFCD)

MFCD01122055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.263

Distribution Coefficient, logD

3.263

Water Solubility, LogSw

-3.54

Polar Surface Area

40.585

Acid Dissociation Constant (pKa)

27.02

Base Dissociation Constant (pKb)

-10.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

4052-3257 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4052-3257 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4052-3257?
Check Price and Availability of 4052-3257, 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 4052-3257 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4052-3257
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4052-3257
  • 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 4052-3257 available by request