D653-0156 Screening compound: N-[4-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}sulfonyl)phenyl]acetamide

D653-0156 Screening compound: N-[4-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}sulfonyl)phenyl]acetamide
D653-0156 Screening compound: N-[4-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}sulfonyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D653-0156
N-[4-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}sulfonyl)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

D653-0156

Molecular Formula

C18H22N4O3S (C18 H22 N4 O3 S)

Compound Name

N-[4-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}sulfonyl)phenyl]acetamide

IUPAC name

N-[4-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}sulfonyl)phenyl]acetamide

SMILES

CC(Nc(cc1)ccc1S(N1CCN(Cc2ccncc2)CC1)(=O)=O)=O

InChI

InChI=1S/C18H22N4O3S/c1-15(23)20-17-2-4-18(5-3-17)26(24,25)22-12-10-21(11-13-22)14-16-6-8-19-9-7-16/h2-9H,10-14H2,1H3,(H,20,23)

InChI Key

VABKGTKCKZQGGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02736669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.534

Distribution Coefficient, logD

0.510

Water Solubility, LogSw

-2.12

Polar Surface Area

68.180

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

D653-0156 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Human Transcription Factors Annotated Library (5098 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D653-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D653-0156?
Check Price and Availability of D653-0156, 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 D653-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D653-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D653-0156
  • 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 D653-0156 available by request