K784-8054 Screening compound: N-[(2,4,6-trifluorophenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)formamido]propanamide

K784-8054 Screening compound: N-[(2,4,6-trifluorophenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)formamido]propanamide
K784-8054 Screening compound: N-[(2,4,6-trifluorophenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)formamido]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-8054
N-[(2,4,6-trifluorophenyl)methyl]-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

K784-8054

Molecular Formula

C20H21F3N2O5 (C20 H21 F3 N2 O5)

Compound Name

N-[(2,4,6-trifluorophenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)formamido]propanamide

IUPAC name

N-[(246-trifluorophenyl)methyl]-3-[(345-trimethoxyphenyl)formamido]propanamide

SMILES

COc1cc(C(NCCC(NCc(c(F)cc(F)c2)c2F)=O)=O)cc(OC)c1OC

InChI

InChI=1S/C20H21F3N2O5/c1-28-16-6-11(7-17(29-2)19(16)30-3)20(27)24-5-4-18(26)25-10-13-14(22)8-12(21)9-15(13)23/h6-9H,4-5,10H2,1-3H3,(H,24,27)(H,25,26)

InChI Key

YMZKQCVXIZDXPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.239

Distribution Coefficient, logD

2.239

Water Solubility, LogSw

-2.64

Polar Surface Area

71.943

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

K784-8054 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Pool

References: we are preparing a list of scientific research reports with K784-8054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-8054?
Check Price and Availability of K784-8054, 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 K784-8054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-8054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-8054
  • 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 K784-8054 available by request