K784-4650 Screening compound: 2-{2-chloro-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamido}-N-(2,3-dimethylcyclohexyl)-2-(4-fluorophenyl)acetamide

K784-4650 Screening compound: 2-{2-chloro-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamido}-N-(2,3-dimethylcyclohexyl)-2-(4-fluorophenyl)acetamide
K784-4650 Screening compound: 2-{2-chloro-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamido}-N-(2,3-dimethylcyclohexyl)-2-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-4650
2-{2-chloro-N-[2-(cyclohex-1-en-1-yl)ethyl]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

K784-4650

Molecular Formula

C26H36ClFN2O2 (C26 H36 ClFN2 O2)

Compound Name

2-{2-chloro-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamido}-N-(2,3-dimethylcyclohexyl)-2-(4-fluorophenyl)acetamide

IUPAC name

2-{2-chloro-N-[2-(cyclohex-1-en-1-yl)ethyl]acetamido}-N-(23-dimethylcyclohexyl)-2-(4-fluorophenyl)acetamide

SMILES

CC(CCC1)C(C)C1NC(C(c(cc1)ccc1F)N(CCC1=CCCCC1)C(CCl)=O)=O

InChI

InChI=1S/C26H36ClFN2O2/c1-18-7-6-10-23(19(18)2)29-26(32)25(21-11-13-22(28)14-12-21)30(24(31)17-27)16-15-20-8-4-3-5-9-20/h8,11-14,18-19,23,25H,3-7,9-10,15-17H2,1-2H3,(H,29,32)

InChI Key

RNGNMFXNBXJGQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03451127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.04

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.042

Distribution Coefficient, logD

5.042

Water Solubility, LogSw

-4.52

Polar Surface Area

39.605

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

61.50

K784-4650 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

CORONAVIRUS Library (20774 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with K784-4650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-4650?
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What is the minimum amount of K784-4650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-4650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-4650
  • 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 K784-4650 available by request