2686-0450 Screening compound: 3-(4-methylbenzoyl)-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-5-ol

2686-0450 Screening compound: 3-(4-methylbenzoyl)-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-5-ol
2686-0450 Screening compound: 3-(4-methylbenzoyl)-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 2686-0450
3-(4-methylbenzoyl)-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-5-ol

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

2686-0450

Molecular Formula

C22H24N2O3 (C22 H24 N2 O3)

Compound Name

3-(4-methylbenzoyl)-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-5-ol

IUPAC name

3-(4-methylbenzoyl)-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-5-ol

SMILES

Cc(cc1)ccc1C(c(c1c2CN3CCN(C)CC3)coc1ccc2O)=O

InChI

InChI=1S/C22H24N2O3/c1-15-3-5-16(6-4-15)22(26)18-14-27-20-8-7-19(25)17(21(18)20)13-24-11-9-23(2)10-12-24/h3-8,14,25H,9-13H2,1-2H3

InChI Key

KUTCXVUIOVBICM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01235243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.195

Distribution Coefficient, logD

2.396

Water Solubility, LogSw

-3.38

Polar Surface Area

47.022

Acid Dissociation Constant (pKa)

9.18

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

2686-0450 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

BRD4 Targeted Library (4534 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with 2686-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2686-0450?
Check Price and Availability of 2686-0450, 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 2686-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2686-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2686-0450
  • 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 2686-0450 available by request