K784-4653 Screening compound: 2-{2-chloro-N-[(3-methoxyphenyl)methyl]acetamido}-N-(2,3-dimethylcyclohexyl)-2-(4-fluorophenyl)acetamide

K784-4653 Screening compound: 2-{2-chloro-N-[(3-methoxyphenyl)methyl]acetamido}-N-(2,3-dimethylcyclohexyl)-2-(4-fluorophenyl)acetamide
K784-4653 Screening compound: 2-{2-chloro-N-[(3-methoxyphenyl)methyl]acetamido}-N-(2,3-dimethylcyclohexyl)-2-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-4653
2-{2-chloro-N-[(3-methoxyphenyl)methyl]acetamido}-N-(2,3-dimethylcyclohexyl)-2-(4-fluorophenyl)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

K784-4653

Molecular Formula

C26H32ClFN2O3 (C26 H32 ClFN2 O3)

Compound Name

2-{2-chloro-N-[(3-methoxyphenyl)methyl]acetamido}-N-(2,3-dimethylcyclohexyl)-2-(4-fluorophenyl)acetamide

IUPAC name

2-{2-chloro-N-[(3-methoxyphenyl)methyl]acetamido}-N-(23-dimethylcyclohexyl)-2-(4-fluorophenyl)acetamide

SMILES

CC(CCC1)C(C)C1NC(C(c(cc1)ccc1F)N(Cc1cc(OC)ccc1)C(CCl)=O)=O

InChI

InChI=1S/C26H32ClFN2O3/c1-17-6-4-9-23(18(17)2)29-26(32)25(20-10-12-21(28)13-11-20)30(24(31)15-27)16-19-7-5-8-22(14-19)33-3/h5,7-8,10-14,17-18,23,25H,4,6,9,15-16H2,1-3H3,(H,29,32)

InChI Key

QEBWVOUNMHLUBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03451130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.373

Distribution Coefficient, logD

4.373

Water Solubility, LogSw

-4.36

Polar Surface Area

46.979

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

2.19

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

46.20

K784-4653 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with K784-4653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-4653?
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What is the minimum amount of K784-4653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-4653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-4653
  • 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 K784-4653 available by request