4577-1104 Screening compound: 2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-(1-phenylethyl)acetamide

4577-1104 Screening compound: 2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-(1-phenylethyl)acetamide
4577-1104 Screening compound: 2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-(1-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4577-1104
2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-(1-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

4577-1104

Molecular Formula

C23H20ClF3N2O3S (C23 H20 ClF3 N2 O3 S)

Compound Name

2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-(1-phenylethyl)acetamide

IUPAC name

2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-(1-phenylethyl)acetamide

SMILES

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

InChI

InChI=1S/C23H20ClF3N2O3S/c1-16(17-8-4-2-5-9-17)28-22(30)15-29(33(31,32)19-10-6-3-7-11-19)21-14-18(23(25,26)27)12-13-20(21)24/h2-14,16H,15H2,1H3,(H,28,30)/t16-/m0/s1

InChI Key

RQWIIRBWEIJBFT-INIZCTEOSA-N

MDL Number (MFCD)

MFCD05040474

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

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.982

Distribution Coefficient, logD

4.982

Water Solubility, LogSw

-5.23

Polar Surface Area

55.126

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.39

4577-1104 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4577-1104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4577-1104?
Check Price and Availability of 4577-1104, 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 4577-1104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4577-1104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4577-1104
  • 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 4577-1104 available by request