D653-0095 Screening compound: 1-(3-methyl-1-benzofuran-2-carbonyl)-4-[(pyridin-4-yl)methyl]piperazine

D653-0095 Screening compound: 1-(3-methyl-1-benzofuran-2-carbonyl)-4-[(pyridin-4-yl)methyl]piperazine
D653-0095 Screening compound: 1-(3-methyl-1-benzofuran-2-carbonyl)-4-[(pyridin-4-yl)methyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D653-0095
1-(3-methyl-1-benzofuran-2-carbonyl)-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

D653-0095

Molecular Formula

C20H21N3O2 (C20 H21 N3 O2)

Compound Name

1-(3-methyl-1-benzofuran-2-carbonyl)-4-[(pyridin-4-yl)methyl]piperazine

IUPAC name

1-(3-methyl-1-benzofuran-2-carbonyl)-4-[(pyridin-4-yl)methyl]piperazine

SMILES

Cc1c(C(N2CCN(Cc3ccncc3)CC2)=O)oc2c1cccc2

InChI

InChI=1S/C20H21N3O2/c1-15-17-4-2-3-5-18(17)25-19(15)20(24)23-12-10-22(11-13-23)14-16-6-8-21-9-7-16/h2-9H,10-14H2,1H3

InChI Key

WPWCXJJEWQGWQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD17664192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.442

Distribution Coefficient, logD

2.418

Water Solubility, LogSw

-2.34

Polar Surface Area

38.381

Acid Dissociation Constant (pKa)

27.55

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

D653-0095 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

GPCR Targeted Library (31838 compounds)

STING Agonist Library (5895 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Others
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D653-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D653-0095?
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What is the minimum amount of D653-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D653-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D653-0095
  • 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 D653-0095 available by request