D339-0602 Screening compound: 1-(3,5-dimethyl-1-benzofuran-2-carbonyl)-4-[2-(pyridin-4-yl)ethyl]piperazine

D339-0602 Screening compound: 1-(3,5-dimethyl-1-benzofuran-2-carbonyl)-4-[2-(pyridin-4-yl)ethyl]piperazine
D339-0602 Screening compound: 1-(3,5-dimethyl-1-benzofuran-2-carbonyl)-4-[2-(pyridin-4-yl)ethyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D339-0602
1-(3,5-dimethyl-1-benzofuran-2-carbonyl)-4-[2-(pyridin-4-yl)ethyl]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

D339-0602

Molecular Formula

C22H25N3O2 (C22 H25 N3 O2)

Compound Name

1-(3,5-dimethyl-1-benzofuran-2-carbonyl)-4-[2-(pyridin-4-yl)ethyl]piperazine

IUPAC name

1-(35-dimethyl-1-benzofuran-2-carbonyl)-4-[2-(pyridin-4-yl)ethyl]piperazine

SMILES

Cc1c(C(N2CCN(CCc3ccncc3)CC2)=O)oc2c1cc(C)cc2

InChI

InChI=1S/C22H25N3O2/c1-16-3-4-20-19(15-16)17(2)21(27-20)22(26)25-13-11-24(12-14-25)10-7-18-5-8-23-9-6-18/h3-6,8-9,15H,7,10-14H2,1-2H3

InChI Key

YGFWGTLKQFGYFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08545776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.073

Distribution Coefficient, logD

3.044

Water Solubility, LogSw

-2.81

Polar Surface Area

38.360

Acid Dissociation Constant (pKa)

27.29

Base Dissociation Constant (pKb)

6.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

D339-0602 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D339-0602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D339-0602?
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What is the minimum amount of D339-0602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D339-0602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D339-0602
  • 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 D339-0602 available by request