D089-0531 Screening compound: 4-[(4-benzylpiperazin-1-yl)methyl]-N-cyclopentyl-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide

D089-0531 Screening compound: 4-[(4-benzylpiperazin-1-yl)methyl]-N-cyclopentyl-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
D089-0531 Screening compound: 4-[(4-benzylpiperazin-1-yl)methyl]-N-cyclopentyl-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D089-0531
4-[(4-benzylpiperazin-1-yl)methyl]-N-cyclopentyl-5-hydroxy-2-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

D089-0531

Molecular Formula

C27H33N3O3 (C27 H33 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(NC2CCCC2)=O)c2c(CN3CCN(Cc4ccccc4)CC3)c(O)ccc2o1

InChI

InChI=1S/C27H33N3O3/c1-19-25(27(32)28-21-9-5-6-10-21)26-22(23(31)11-12-24(26)33-19)18-30-15-13-29(14-16-30)17-20-7-3-2-4-8-20/h2-4,7-8,11-12,21,31H,5-6,9-10,13-18H2,1H3,(H,28,32)

InChI Key

SHZVTFMFLSTVAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08143240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.58

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

3.876

Distribution Coefficient, logD

3.686

Water Solubility, LogSw

-4.14

Polar Surface Area

56.512

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

D089-0531 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with D089-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D089-0531?
Check Price and Availability of D089-0531, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D089-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D089-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D089-0531
  • 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 D089-0531 available by request