D089-0465 Screening compound: N-(3-chloro-4-methoxyphenyl)-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxamide

D089-0465 Screening compound: N-(3-chloro-4-methoxyphenyl)-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxamide
D089-0465 Screening compound: N-(3-chloro-4-methoxyphenyl)-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D089-0465
N-(3-chloro-4-methoxyphenyl)-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-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

D089-0465

Molecular Formula

C23H26ClN3O4 (C23 H26 ClN3 O4)

Compound Name

N-(3-chloro-4-methoxyphenyl)-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxamide

SMILES

Cc1c(C(Nc(cc2)cc(Cl)c2OC)=O)c2c(CN3CCN(C)CC3)c(O)ccc2o1

InChI

InChI=1S/C23H26ClN3O4/c1-14-21(23(29)25-15-4-6-19(30-3)17(24)12-15)22-16(18(28)5-7-20(22)31-14)13-27-10-8-26(2)9-11-27/h4-7,12,28H,8-11,13H2,1-3H3,(H,25,29)

InChI Key

NBCVZKRGGNFLRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08143214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.530

Distribution Coefficient, logD

2.731

Water Solubility, LogSw

-3.94

Polar Surface Area

62.665

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

D089-0465 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Proteases Annotated Library (2868 compounds)

Lipid Metabolism Library (9174 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with D089-0465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D089-0465?
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What is the minimum amount of D089-0465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D089-0465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D089-0465
  • 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 D089-0465 available by request