4577-2002 Screening compound: 2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-phenylacetamide

4577-2002 Screening compound: 2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-phenylacetamide
4577-2002 Screening compound: 2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4577-2002
2-{N-[2-chloro-5-(trifluoromethyl)phenyl]benzenesulfonamido}-N-phenylacetamide

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

4577-2002

Molecular Formula

C21H16ClF3N2O3S (C21 H16 ClF3 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(c(cc(C(F)(F)F)cc1)c1Cl)S(c1ccccc1)(=O)=O)Nc1ccccc1

InChI

InChI=1S/C21H16ClF3N2O3S/c22-18-12-11-15(21(23,24)25)13-19(18)27(31(29,30)17-9-5-2-6-10-17)14-20(28)26-16-7-3-1-4-8-16/h1-13H,14H2,(H,26,28)

InChI Key

GJITVGYMMCFFDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04208800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.979

Distribution Coefficient, logD

4.979

Water Solubility, LogSw

-5.30

Polar Surface Area

54.641

Acid Dissociation Constant (pKa)

12.73

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

4577-2002 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral HBV Library (10007 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4577-2002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4577-2002?
Check Price and Availability of 4577-2002, 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 4577-2002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4577-2002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4577-2002
  • 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 4577-2002 available by request