D089-0828 Screening compound: 4-{[bis(prop-2-en-1-yl)amino]methyl}-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide

D089-0828 Screening compound: 4-{[bis(prop-2-en-1-yl)amino]methyl}-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide
D089-0828 Screening compound: 4-{[bis(prop-2-en-1-yl)amino]methyl}-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D089-0828
4-{[bis(prop-2-en-1-yl)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

D089-0828

Molecular Formula

C24H26N2O3 (C24 H26 N2 O3)

Compound Name

4-{[bis(prop-2-en-1-yl)amino]methyl}-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide

IUPAC name

4-{[bis(prop-2-en-1-yl)amino]methyl}-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide

SMILES

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

InChI

InChI=1S/C24H26N2O3/c1-5-13-26(14-6-2)15-18-20(27)11-12-21-23(18)22(17(4)29-21)24(28)25-19-10-8-7-9-16(19)3/h5-12,27H,1-2,13-15H2,3-4H3,(H,25,28)

InChI Key

AYZRRYAALQGXSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08143272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.561

Distribution Coefficient, logD

4.426

Water Solubility, LogSw

-4.55

Polar Surface Area

51.067

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

6.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

D089-0828 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D089-0828 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D089-0828?
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What is the minimum amount of D089-0828 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D089-0828
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D089-0828
  • 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 D089-0828 available by request