4577-0670 Screening compound: 2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-(2-phenylethyl)acetamide

4577-0670 Screening compound: 2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-(2-phenylethyl)acetamide
4577-0670 Screening compound: 2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-(2-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4577-0670
2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-(2-phenylethyl)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

4577-0670

Molecular Formula

C23H20ClF3N2O3S (C23 H20 ClF3 N2 O3 S)

Compound Name

2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-(2-phenylethyl)acetamide

IUPAC name

2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-(2-phenylethyl)acetamide

SMILES

O=C(CN(c(cc(C(F)(F)F)cc1)c1Cl)S(c1ccccc1)(=O)=O)NCCc1ccccc1

InChI

InChI=1S/C23H20ClF3N2O3S/c24-20-12-11-18(23(25,26)27)15-21(20)29(33(31,32)19-9-5-2-6-10-19)16-22(30)28-14-13-17-7-3-1-4-8-17/h1-12,15H,13-14,16H2,(H,28,30)

InChI Key

XCAQOKFIIJISNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03144815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.523

Distribution Coefficient, logD

4.523

Water Solubility, LogSw

-4.68

Polar Surface Area

55.804

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

4577-0670 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4577-0670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4577-0670?
Check Price and Availability of 4577-0670, 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 4577-0670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4577-0670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4577-0670
  • 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 4577-0670 available by request