K839-0099 Screening compound: N-[(2-hydroxynaphthalen-1-yl)(2-methoxyphenyl)methyl]-2-phenylacetamide

K839-0099 Screening compound: N-[(2-hydroxynaphthalen-1-yl)(2-methoxyphenyl)methyl]-2-phenylacetamide
K839-0099 Screening compound: N-[(2-hydroxynaphthalen-1-yl)(2-methoxyphenyl)methyl]-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K839-0099
N-[(2-hydroxynaphthalen-1-yl)(2-methoxyphenyl)methyl]-2-phenylacetamide

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

K839-0099

Molecular Formula

C26H23NO3 (C26 H23 NO3)

Compound Name

N-[(2-hydroxynaphthalen-1-yl)(2-methoxyphenyl)methyl]-2-phenylacetamide

IUPAC name

N-[(2-hydroxynaphthalen-1-yl)(2-methoxyphenyl)methyl]-2-phenylacetamide

SMILES

COc1c(C(c(c2ccccc2cc2)c2O)NC(Cc2ccccc2)=O)cccc1

InChI

InChI=1S/C26H23NO3/c1-30-23-14-8-7-13-21(23)26(27-24(29)17-18-9-3-2-4-10-18)25-20-12-6-5-11-19(20)15-16-22(25)28/h2-16,26,28H,17H2,1H3,(H,27,29)/t26-/m0/s1

InChI Key

WWYYCBPSSDZQAI-SANMLTNESA-N

MDL Number (MFCD)

MFCD02211728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.041

Distribution Coefficient, logD

5.034

Water Solubility, LogSw

-5.52

Polar Surface Area

47.426

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.50

K839-0099 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Glucocorticoid receptors Library (4806 compounds)

Hsp90-Targeted Library (11355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Kinases
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K839-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K839-0099?
Check Price and Availability of K839-0099, 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 K839-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K839-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K839-0099
  • 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 K839-0099 available by request