2072-0551 Screening compound: 4-propoxy-N-{4-[(pyridin-4-yl)methyl]phenyl}benzamide

2072-0551 Screening compound: 4-propoxy-N-{4-[(pyridin-4-yl)methyl]phenyl}benzamide
2072-0551 Screening compound: 4-propoxy-N-{4-[(pyridin-4-yl)methyl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2072-0551
4-propoxy-N-{4-[(pyridin-4-yl)methyl]phenyl}benzamide

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

2072-0551

Molecular Formula

C22H22N2O2 (C22 H22 N2 O2)

Compound Name

4-propoxy-N-{4-[(pyridin-4-yl)methyl]phenyl}benzamide

IUPAC name

4-propoxy-N-{4-[(pyridin-4-yl)methyl]phenyl}benzamide

SMILES

CCCOc(cc1)ccc1C(Nc1ccc(Cc2ccncc2)cc1)=O

InChI

InChI=1S/C22H22N2O2/c1-2-15-26-21-9-5-19(6-10-21)22(25)24-20-7-3-17(4-8-20)16-18-11-13-23-14-12-18/h3-14H,2,15-16H2,1H3,(H,24,25)

InChI Key

WTYIFMCFIOSNBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01415474

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.296

Distribution Coefficient, logD

4.296

Water Solubility, LogSw

-4.06

Polar Surface Area

39.904

Acid Dissociation Constant (pKa)

11.65

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

2072-0551 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antifungal Library (16415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2072-0551 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2072-0551?
Check Price and Availability of 2072-0551, 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 2072-0551 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2072-0551
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2072-0551
  • 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 2072-0551 available by request