4155-0730 Screening compound: N-(4-ethoxyphenyl)-2-[(2-nitro-4-trifluoromethanesulfonylphenyl)amino]benzamide

4155-0730 Screening compound: N-(4-ethoxyphenyl)-2-[(2-nitro-4-trifluoromethanesulfonylphenyl)amino]benzamide
4155-0730 Screening compound: N-(4-ethoxyphenyl)-2-[(2-nitro-4-trifluoromethanesulfonylphenyl)amino]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4155-0730
N-(4-ethoxyphenyl)-2-[(2-nitro-4-trifluoromethanesulfonylphenyl)amino]benzamide

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

4155-0730

Molecular Formula

C22H18F3N3O6S (C22 H18 F3 N3 O6 S)

Compound Name

N-(4-ethoxyphenyl)-2-[(2-nitro-4-trifluoromethanesulfonylphenyl)amino]benzamide

IUPAC name

N-(4-ethoxyphenyl)-2-[(2-nitro-4-trifluoromethanesulfonylphenyl)amino]benzamide

SMILES

CCOc(cc1)ccc1NC(c(cccc1)c1Nc(ccc(S(C(F)(F)F)(=O)=O)c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C22H18F3N3O6S/c1-2-34-15-9-7-14(8-10-15)26-21(29)17-5-3-4-6-18(17)27-19-12-11-16(13-20(19)28(30)31)35(32,33)22(23,24)25/h3-13,27H,2H2,1H3,(H,26,29)

InChI Key

RSMXOACLHBVZNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00499583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.46

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.160

Distribution Coefficient, logD

6.160

Water Solubility, LogSw

-5.51

Polar Surface Area

100.823

Acid Dissociation Constant (pKa)

12.17

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

4155-0730 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 4155-0730 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4155-0730?
Check Price and Availability of 4155-0730, 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 4155-0730 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4155-0730
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4155-0730
  • 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 4155-0730 available by request