K839-0012 Screening compound: N-[(3,4-DIMETHOXYPHENYL)(2-HYDROXYNAPHTHALEN-1-YL)METHYL]ACETAMIDE

K839-0012 Screening compound: N-[(3,4-DIMETHOXYPHENYL)(2-HYDROXYNAPHTHALEN-1-YL)METHYL]ACETAMIDE
K839-0012 Screening compound: N-[(3,4-DIMETHOXYPHENYL)(2-HYDROXYNAPHTHALEN-1-YL)METHYL]ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound K839-0012
N-[(3,4-DIMETHOXYPHENYL)(2-HYDROXYNAPHTHALEN-1-YL)METHYL]ACETAMIDE

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

K839-0012

Molecular Formula

C21H21NO4 (C21 H21 NO4)

Compound Name

N-[(3,4-DIMETHOXYPHENYL)(2-HYDROXYNAPHTHALEN-1-YL)METHYL]ACETAMIDE

IUPAC name

N-[(34-dimethoxyphenyl)(2-hydroxynaphthalen-1-yl)methyl]acetamide

SMILES

CC(NC(c(cc1)cc(OC)c1OC)c(c1ccccc1cc1)c1O)=O

InChI

InChI=1S/C21H21NO4/c1-13(23)22-21(15-9-11-18(25-2)19(12-15)26-3)20-16-7-5-4-6-14(16)8-10-17(20)24/h4-12,21,24H,1-3H3,(H,22,23)/t21-/m0/s1

InChI Key

IIDLZHSTJAXEIU-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02045769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.157

Distribution Coefficient, logD

3.157

Water Solubility, LogSw

-3.58

Polar Surface Area

55.440

Acid Dissociation Constant (pKa)

10.54

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

K839-0012 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Hsp90-Targeted Library (11355 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with K839-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K839-0012?
Check Price and Availability of K839-0012, 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 K839-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K839-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K839-0012
  • 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 K839-0012 available by request