D525-0004 Screening compound: N-[2-(4-fluoro-3-methylbenzenesulfonyl)-2-(pyridin-3-yl)ethyl]-4-methylbenzamide

D525-0004 Screening compound: N-[2-(4-fluoro-3-methylbenzenesulfonyl)-2-(pyridin-3-yl)ethyl]-4-methylbenzamide
D525-0004 Screening compound: N-[2-(4-fluoro-3-methylbenzenesulfonyl)-2-(pyridin-3-yl)ethyl]-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D525-0004
N-[2-(4-fluoro-3-methylbenzenesulfonyl)-2-(pyridin-3-yl)ethyl]-4-methylbenzamide

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

D525-0004

Molecular Formula

C22H21FN2O3S (C22 H21 FN2 O3 S)

Compound Name

N-[2-(4-fluoro-3-methylbenzenesulfonyl)-2-(pyridin-3-yl)ethyl]-4-methylbenzamide

IUPAC name

N-[2-(4-fluoro-3-methylbenzenesulfonyl)-2-(pyridin-3-yl)ethyl]-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(NCC(c1cnccc1)S(c(cc1)cc(C)c1F)(=O)=O)=O

InChI

InChI=1S/C22H21FN2O3S/c1-15-5-7-17(8-6-15)22(26)25-14-21(18-4-3-11-24-13-18)29(27,28)19-9-10-20(23)16(2)12-19/h3-13,21H,14H2,1-2H3,(H,25,26)/t21-/m0/s1

InChI Key

YWKBNOCWERHQKS-NRFANRHFSA-N

MDL Number (MFCD)

MFCD08764646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.330

Distribution Coefficient, logD

3.329

Water Solubility, LogSw

-3.49

Polar Surface Area

63.670

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

D525-0004 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Agro:
  • Agro
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D525-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D525-0004?
Check Price and Availability of D525-0004, 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 D525-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D525-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D525-0004
  • 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 D525-0004 available by request