D089-0499 Screening compound: 4-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide

D089-0499 Screening compound: 4-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide
D089-0499 Screening compound: 4-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D089-0499
4-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide

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

D089-0499

Molecular Formula

C24H26F3N3O3 (C24 H26 F3 N3 O3)

Compound Name

4-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide

IUPAC name

4-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxy-2-methyl-N-[3-(trifluoromethyl)phenyl]-1-benzofuran-3-carboxamide

SMILES

CCN1CCN(Cc2c3c(C(Nc4cccc(C(F)(F)F)c4)=O)c(C)oc3ccc2O)CC1

InChI

InChI=1S/C24H26F3N3O3/c1-3-29-9-11-30(12-10-29)14-18-19(31)7-8-20-22(18)21(15(2)33-20)23(32)28-17-6-4-5-16(13-17)24(25,26)27/h4-8,13,31H,3,9-12,14H2,1-2H3,(H,28,32)

InChI Key

ZIEORZBTTRHPEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08143228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.407

Distribution Coefficient, logD

3.476

Water Solubility, LogSw

-4.44

Polar Surface Area

55.094

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

8.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

D089-0499 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D089-0499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D089-0499?
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What is the minimum amount of D089-0499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D089-0499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D089-0499
  • 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 D089-0499 available by request