D653-0034 Screening compound: 1-(4-butoxybenzoyl)-4-[(pyridin-4-yl)methyl]piperazine

D653-0034 Screening compound: 1-(4-butoxybenzoyl)-4-[(pyridin-4-yl)methyl]piperazine
D653-0034 Screening compound: 1-(4-butoxybenzoyl)-4-[(pyridin-4-yl)methyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D653-0034
1-(4-butoxybenzoyl)-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

D653-0034

Molecular Formula

C21H27N3O2 (C21 H27 N3 O2)

Compound Name

1-(4-butoxybenzoyl)-4-[(pyridin-4-yl)methyl]piperazine

IUPAC name

1-(4-butoxybenzoyl)-4-[(pyridin-4-yl)methyl]piperazine

SMILES

CCCCOc(cc1)ccc1C(N1CCN(Cc2ccncc2)CC1)=O

InChI

InChI=1S/C21H27N3O2/c1-2-3-16-26-20-6-4-19(5-7-20)21(25)24-14-12-23(13-15-24)17-18-8-10-22-11-9-18/h4-11H,2-3,12-17H2,1H3

InChI Key

QESVDORBLHMMFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18079385

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

353.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.494

Distribution Coefficient, logD

2.470

Water Solubility, LogSw

-2.27

Polar Surface Area

37.273

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

D653-0034 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D653-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D653-0034?
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What is the minimum amount of D653-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D653-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D653-0034
  • 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 D653-0034 available by request