K809-0501 Screening compound: N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide

K809-0501 Screening compound: N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
K809-0501 Screening compound: N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K809-0501
N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide

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

K809-0501

Molecular Formula

C17H16ClNO3 (C17 H16 ClNO3)

Compound Name

N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide

IUPAC name

N-(3-chlorophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide

SMILES

COc(cc1)ccc1C(CCC(Nc1cccc(Cl)c1)=O)=O

InChI

InChI=1S/C17H16ClNO3/c1-22-15-7-5-12(6-8-15)16(20)9-10-17(21)19-14-4-2-3-13(18)11-14/h2-8,11H,9-10H2,1H3,(H,19,21)

InChI Key

DAZGDFFQMIYPJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03037622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.77

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.599

Distribution Coefficient, logD

3.598

Water Solubility, LogSw

-3.86

Polar Surface Area

43.907

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

K809-0501 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Serine Proteases Inhibitors Library (32732 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
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K809-0501 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K809-0501?
Check Price and Availability of K809-0501, 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 K809-0501 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K809-0501
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K809-0501
  • 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 K809-0501 available by request