4031-0420 Screening compound: 2-(N-benzyl4-methoxybenzenesulfonamido)-N-[3-(trifluoromethyl)phenyl]acetamide

4031-0420 Screening compound: 2-(N-benzyl4-methoxybenzenesulfonamido)-N-[3-(trifluoromethyl)phenyl]acetamide
4031-0420 Screening compound: 2-(N-benzyl4-methoxybenzenesulfonamido)-N-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4031-0420
2-(N-benzyl4-methoxybenzenesulfonamido)-N-[3-(trifluoromethyl)phenyl]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

4031-0420

Molecular Formula

C23H21F3N2O4S (C23 H21 F3 N2 O4 S)

Compound Name

2-(N-benzyl4-methoxybenzenesulfonamido)-N-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-(N-benzyl4-methoxybenzenesulfonamido)-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

COc(cc1)ccc1S(N(CC(Nc1cc(C(F)(F)F)ccc1)=O)Cc1ccccc1)(=O)=O

InChI

InChI=1S/C23H21F3N2O4S/c1-32-20-10-12-21(13-11-20)33(30,31)28(15-17-6-3-2-4-7-17)16-22(29)27-19-9-5-8-18(14-19)23(24,25)26/h2-14H,15-16H2,1H3,(H,27,29)

InChI Key

RACRWBGDXAUQSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01893541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.214

Distribution Coefficient, logD

5.179

Water Solubility, LogSw

-5.11

Polar Surface Area

62.035

Acid Dissociation Constant (pKa)

8.47

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

4031-0420 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral HBV Library (10007 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 4031-0420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4031-0420?
Check Price and Availability of 4031-0420, 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 4031-0420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4031-0420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4031-0420
  • 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 4031-0420 available by request