K784-8055 Screening compound: N-[2-(4-chlorophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)formamido]propanamide

K784-8055 Screening compound: N-[2-(4-chlorophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)formamido]propanamide
K784-8055 Screening compound: N-[2-(4-chlorophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)formamido]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-8055
N-[2-(4-chlorophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)formamido]propanamide

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

K784-8055

Molecular Formula

C21H25ClN2O5 (C21 H25 ClN2 O5)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-3-[(3,4,5-trimethoxyphenyl)formamido]propanamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-3-[(345-trimethoxyphenyl)formamido]propanamide

SMILES

COc1cc(C(NCCC(NCCc(cc2)ccc2Cl)=O)=O)cc(OC)c1OC

InChI

InChI=1S/C21H25ClN2O5/c1-27-17-12-15(13-18(28-2)20(17)29-3)21(26)24-11-9-19(25)23-10-8-14-4-6-16(22)7-5-14/h4-7,12-13H,8-11H2,1-3H3,(H,23,25)(H,24,26)

InChI Key

NLVFRZKCNJMQLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.930

Distribution Coefficient, logD

1.930

Water Solubility, LogSw

-3.05

Polar Surface Area

71.784

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K784-8055 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K784-8055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-8055?
Check Price and Availability of K784-8055, 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 K784-8055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-8055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-8055
  • 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 K784-8055 available by request