D653-0086 Screening compound: 1-(5-bromofuran-2-carbonyl)-4-[(pyridin-4-yl)methyl]piperazine

D653-0086 Screening compound: 1-(5-bromofuran-2-carbonyl)-4-[(pyridin-4-yl)methyl]piperazine
D653-0086 Screening compound: 1-(5-bromofuran-2-carbonyl)-4-[(pyridin-4-yl)methyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D653-0086
1-(5-bromofuran-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

D653-0086

Molecular Formula

C15H16BrN3O2 (C15 H16 BrN3 O2)

Compound Name

1-(5-bromofuran-2-carbonyl)-4-[(pyridin-4-yl)methyl]piperazine

IUPAC name

1-(5-bromofuran-2-carbonyl)-4-[(pyridin-4-yl)methyl]piperazine

SMILES

O=C(c(o1)ccc1Br)N1CCN(Cc2ccncc2)CC1

InChI

InChI=1S/C15H16BrN3O2/c16-14-2-1-13(21-14)15(20)19-9-7-18(8-10-19)11-12-3-5-17-6-4-12/h1-6H,7-11H2

InChI Key

ZXQLMROFISSOCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD17664129

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

350.22

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

1.333

Distribution Coefficient, logD

1.308

Water Solubility, LogSw

-1.40

Polar Surface Area

38.781

Acid Dissociation Constant (pKa)

28.69

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D653-0086 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D653-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D653-0086?
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What is the minimum amount of D653-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D653-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D653-0086
  • 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 D653-0086 available by request