8014-1252 Screening compound: 3-(4-methoxybenzoyl)-4-[(piperidin-1-yl)methyl]-1-benzofuran-5-ol

8014-1252 Screening compound: 3-(4-methoxybenzoyl)-4-[(piperidin-1-yl)methyl]-1-benzofuran-5-ol
8014-1252 Screening compound: 3-(4-methoxybenzoyl)-4-[(piperidin-1-yl)methyl]-1-benzofuran-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1252
3-(4-methoxybenzoyl)-4-[(piperidin-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

8014-1252

Molecular Formula

C22H23NO4 (C22 H23 NO4)

Compound Name

3-(4-methoxybenzoyl)-4-[(piperidin-1-yl)methyl]-1-benzofuran-5-ol

IUPAC name

3-(4-methoxybenzoyl)-4-[(piperidin-1-yl)methyl]-1-benzofuran-5-ol

SMILES

COc(cc1)ccc1C(c(c1c2CN3CCCCC3)coc1ccc2O)=O

InChI

InChI=1S/C22H23NO4/c1-26-16-7-5-15(6-8-16)22(25)18-14-27-20-10-9-19(24)17(21(18)20)13-23-11-3-2-4-12-23/h5-10,14,24H,2-4,11-13H2,1H3

InChI Key

IIMARUZOQMCQCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.947

Distribution Coefficient, logD

3.643

Water Solubility, LogSw

-3.85

Polar Surface Area

51.090

Acid Dissociation Constant (pKa)

9.18

Base Dissociation Constant (pKb)

7.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

8014-1252 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-1252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1252?
Check Price and Availability of 8014-1252, 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 8014-1252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1252
  • 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 8014-1252 available by request