D653-0063 Screening compound: 1-(3-propoxybenzoyl)-4-[(pyridin-4-yl)methyl]piperazine

D653-0063 Screening compound: 1-(3-propoxybenzoyl)-4-[(pyridin-4-yl)methyl]piperazine
D653-0063 Screening compound: 1-(3-propoxybenzoyl)-4-[(pyridin-4-yl)methyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D653-0063
1-(3-propoxybenzoyl)-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

D653-0063

Molecular Formula

C20H25N3O2 (C20 H25 N3 O2)

Compound Name

1-(3-propoxybenzoyl)-4-[(pyridin-4-yl)methyl]piperazine

IUPAC name

1-(3-propoxybenzoyl)-4-[(pyridin-4-yl)methyl]piperazine

SMILES

CCCOc1cccc(C(N2CCN(Cc3ccncc3)CC2)=O)c1

InChI

InChI=1S/C20H25N3O2/c1-2-14-25-19-5-3-4-18(15-19)20(24)23-12-10-22(11-13-23)16-17-6-8-21-9-7-17/h3-9,15H,2,10-14,16H2,1H3

InChI Key

SSTUZVVWONWPFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18079275

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

339.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.018

Distribution Coefficient, logD

1.993

Water Solubility, LogSw

-2.08

Polar Surface Area

37.273

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D653-0063 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
  • Proteases
  • Ion Channels
  • Ion Channels

References: we are preparing a list of scientific research reports with D653-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D653-0063?
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What is the minimum amount of D653-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D653-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D653-0063
  • 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 D653-0063 available by request