D089-0589 Screening compound: 4-{[benzyl(methyl)amino]methyl}-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide

D089-0589 Screening compound: 4-{[benzyl(methyl)amino]methyl}-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide
D089-0589 Screening compound: 4-{[benzyl(methyl)amino]methyl}-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D089-0589
4-{[benzyl(methyl)amino]methyl}-5-hydroxy-2-methyl-N-(2-methylphenyl)-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

D089-0589

Molecular Formula

C26H26N2O3 (C26 H26 N2 O3)

Compound Name

4-{[benzyl(methyl)amino]methyl}-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide

IUPAC name

4-{[benzyl(methyl)amino]methyl}-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide

SMILES

Cc1c(C(Nc2c(C)cccc2)=O)c2c(CN(C)Cc3ccccc3)c(O)ccc2o1

InChI

InChI=1S/C26H26N2O3/c1-17-9-7-8-12-21(17)27-26(30)24-18(2)31-23-14-13-22(29)20(25(23)24)16-28(3)15-19-10-5-4-6-11-19/h4-14,29H,15-16H2,1-3H3,(H,27,30)

InChI Key

JYKIQKYJTNHQQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08143257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.897

Distribution Coefficient, logD

4.728

Water Solubility, LogSw

-4.75

Polar Surface Area

50.971

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

7.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

D089-0589 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D089-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D089-0589?
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What is the minimum amount of D089-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D089-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D089-0589
  • 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 D089-0589 available by request