D089-0530 Screening compound: 4-[(4-benzylpiperazin-1-yl)methyl]-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide

D089-0530 Screening compound: 4-[(4-benzylpiperazin-1-yl)methyl]-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide
D089-0530 Screening compound: 4-[(4-benzylpiperazin-1-yl)methyl]-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D089-0530
4-[(4-benzylpiperazin-1-yl)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

D089-0530

Molecular Formula

C29H31N3O3 (C29 H31 N3 O3)

Compound Name

4-[(4-benzylpiperazin-1-yl)methyl]-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide

IUPAC name

4-[(4-benzylpiperazin-1-yl)methyl]-5-hydroxy-2-methyl-N-(2-methylphenyl)-1-benzofuran-3-carboxamide

SMILES

Cc1c(C(Nc2c(C)cccc2)=O)c2c(CN3CCN(Cc4ccccc4)CC3)c(O)ccc2o1

InChI

InChI=1S/C29H31N3O3/c1-20-8-6-7-11-24(20)30-29(34)27-21(2)35-26-13-12-25(33)23(28(26)27)19-32-16-14-31(15-17-32)18-22-9-4-3-5-10-22/h3-13,33H,14-19H2,1-2H3,(H,30,34)

InChI Key

VNKLUBCUZMTRFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08143239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.58

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

4.511

Distribution Coefficient, logD

4.321

Water Solubility, LogSw

-4.45

Polar Surface Area

54.400

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

References: we are preparing a list of scientific research reports with D089-0530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D089-0530?
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What is the minimum amount of D089-0530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D089-0530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D089-0530
  • 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 D089-0530 available by request