D525-0023 Screening compound: 3-chloro-N-[2-(4-fluoro-3-methylbenzenesulfonyl)-2-(pyridin-3-yl)ethyl]benzamide

D525-0023 Screening compound: 3-chloro-N-[2-(4-fluoro-3-methylbenzenesulfonyl)-2-(pyridin-3-yl)ethyl]benzamide
D525-0023 Screening compound: 3-chloro-N-[2-(4-fluoro-3-methylbenzenesulfonyl)-2-(pyridin-3-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D525-0023
3-chloro-N-[2-(4-fluoro-3-methylbenzenesulfonyl)-2-(pyridin-3-yl)ethyl]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

D525-0023

Molecular Formula

C21H18ClFN2O3S (C21 H18 ClFN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)S(C(CNC(c2cccc(Cl)c2)=O)c2cnccc2)(=O)=O)c1F

InChI

InChI=1S/C21H18ClFN2O3S/c1-14-10-18(7-8-19(14)23)29(27,28)20(16-5-3-9-24-12-16)13-25-21(26)15-4-2-6-17(22)11-15/h2-12,20H,13H2,1H3,(H,25,26)/t20-/m0/s1

InChI Key

XBPBFWURCTXLTI-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD08764677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.9

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

3.570

Distribution Coefficient, logD

3.568

Water Solubility, LogSw

-4.03

Polar Surface Area

63.670

Acid Dissociation Constant (pKa)

11.52

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

D525-0023 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D525-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D525-0023?
Check Price and Availability of D525-0023, 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 D525-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D525-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D525-0023
  • 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 D525-0023 available by request