4577-2201 Screening compound: 2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-[(furan-2-yl)methyl]acetamide

4577-2201 Screening compound: 2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-[(furan-2-yl)methyl]acetamide
4577-2201 Screening compound: 2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-[(furan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4577-2201
2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-[(furan-2-yl)methyl]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

4577-2201

Molecular Formula

C20H16ClF3N2O4S (C20 H16 ClF3 N2 O4 S)

Compound Name

2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-[(furan-2-yl)methyl]acetamide

IUPAC name

2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-[(furan-2-yl)methyl]acetamide

SMILES

O=C(CN(c(cc(C(F)(F)F)cc1)c1Cl)S(c1ccccc1)(=O)=O)NCc1ccco1

InChI

InChI=1S/C20H16ClF3N2O4S/c21-17-9-8-14(20(22,23)24)11-18(17)26(31(28,29)16-6-2-1-3-7-16)13-19(27)25-12-15-5-4-10-30-15/h1-11H,12-13H2,(H,25,27)

InChI Key

ZZYZPHVNXNCGTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03143995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.87

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.499

Distribution Coefficient, logD

4.499

Water Solubility, LogSw

-4.68

Polar Surface Area

63.712

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

-3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

4577-2201 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)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 4577-2201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4577-2201?
Check Price and Availability of 4577-2201, 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 4577-2201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4577-2201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4577-2201
  • 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 4577-2201 available by request