E511-3122 Screening compound: N-(2,4-difluorophenyl)-2-(N-methyl2-phenyl-1H-1,3-benzodiazole-5-sulfonamido)acetamide

E511-3122 Screening compound: N-(2,4-difluorophenyl)-2-(N-methyl2-phenyl-1H-1,3-benzodiazole-5-sulfonamido)acetamide
E511-3122 Screening compound: N-(2,4-difluorophenyl)-2-(N-methyl2-phenyl-1H-1,3-benzodiazole-5-sulfonamido)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E511-3122
N-(2,4-difluorophenyl)-2-(N-methyl2-phenyl-1H-1,3-benzodiazole-5-sulfonamido)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

E511-3122

Molecular Formula

C22H18F2N4O3S (C22 H18 F2 N4 O3 S)

Compound Name

N-(2,4-difluorophenyl)-2-(N-methyl2-phenyl-1H-1,3-benzodiazole-5-sulfonamido)acetamide

IUPAC name

N-(24-difluorophenyl)-2-(N-methyl2-phenyl-1H-13-benzodiazole-5-sulfonamido)acetamide

SMILES

CN(CC(Nc(ccc(F)c1)c1F)=O)S(c(cc1)cc2c1[nH]c(-c1ccccc1)n2)(=O)=O

InChI

InChI=1S/C22H18F2N4O3S/c1-28(13-21(29)25-18-9-7-15(23)11-17(18)24)32(30,31)16-8-10-19-20(12-16)27-22(26-19)14-5-3-2-4-6-14/h2-12H,13H2,1H3,(H,25,29)(H,26,27)

InChI Key

KPJIBXSNDMLYRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14892941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.946

Distribution Coefficient, logD

3.870

Water Solubility, LogSw

-4.04

Polar Surface Area

74.274

Acid Dissociation Constant (pKa)

8.14

Base Dissociation Constant (pKb)

5.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

E511-3122 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E511-3122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E511-3122?
Check Price and Availability of E511-3122, 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 E511-3122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E511-3122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E511-3122
  • 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 E511-3122 available by request