4577-2239 Screening compound: ethyl 2-(2-{N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamido}acetamido)benzoate

4577-2239 Screening compound: ethyl 2-(2-{N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamido}acetamido)benzoate
4577-2239 Screening compound: ethyl 2-(2-{N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamido}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4577-2239
ethyl 2-(2-{N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamido}acetamido)benzoate

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

4577-2239

Molecular Formula

C19H18ClF3N2O5S (C19 H18 ClF3 N2 O5 S)

Compound Name

ethyl 2-(2-{N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamido}acetamido)benzoate

IUPAC name

ethyl 2-(2-{N-[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonamido}acetamido)benzoate

SMILES

CCOC(c(cccc1)c1NC(CN(c(cc(C(F)(F)F)cc1)c1Cl)S(C)(=O)=O)=O)=O

InChI

InChI=1S/C19H18ClF3N2O5S/c1-3-30-18(27)13-6-4-5-7-15(13)24-17(26)11-25(31(2,28)29)16-10-12(19(21,22)23)8-9-14(16)20/h4-10H,3,11H2,1-2H3,(H,24,26)

InChI Key

JDABKQBDBQKSBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03706332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.88

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.987

Distribution Coefficient, logD

3.971

Water Solubility, LogSw

-4.46

Polar Surface Area

74.461

Acid Dissociation Constant (pKa)

8.83

Base Dissociation Constant (pKb)

-2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

4577-2239 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4577-2239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4577-2239?
Check Price and Availability of 4577-2239, 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 4577-2239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4577-2239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4577-2239
  • 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 4577-2239 available by request