D653-0149 Screening compound: 1-{[1,1'-biphenyl]-4-sulfonyl}-4-[(pyridin-4-yl)methyl]piperazine

D653-0149 Screening compound: 1-{[1,1'-biphenyl]-4-sulfonyl}-4-[(pyridin-4-yl)methyl]piperazine
D653-0149 Screening compound: 1-{[1,1'-biphenyl]-4-sulfonyl}-4-[(pyridin-4-yl)methyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D653-0149
1-{[1,1'-biphenyl]-4-sulfonyl}-4-[(pyridin-4-yl)methyl]piperazine

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

D653-0149

Molecular Formula

C22H23N3O2S (C22 H23 N3 O2 S)

Compound Name

1-{[1,1'-biphenyl]-4-sulfonyl}-4-[(pyridin-4-yl)methyl]piperazine

IUPAC name

1-{[11'-biphenyl]-4-sulfonyl}-4-[(pyridin-4-yl)methyl]piperazine

SMILES

O=S(c(cc1)ccc1-c1ccccc1)(N1CCN(Cc2ccncc2)CC1)=O

InChI

InChI=1S/C22H23N3O2S/c26-28(27,22-8-6-21(7-9-22)20-4-2-1-3-5-20)25-16-14-24(15-17-25)18-19-10-12-23-13-11-19/h1-13H,14-18H2

InChI Key

KMAIEHVONQCDOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18079102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.052

Distribution Coefficient, logD

3.027

Water Solubility, LogSw

-3.31

Polar Surface Area

44.646

Acid Dissociation Constant (pKa)

28.13

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D653-0149 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Akt-Targeted Library (14764 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with D653-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D653-0149?
Check Price and Availability of D653-0149, 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 D653-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D653-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D653-0149
  • 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 D653-0149 available by request