K784-3795 Screening compound: 2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloroacetamido}-2-(2-chlorophenyl)-N-(2-methylcyclohexyl)acetamide

K784-3795 Screening compound: 2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloroacetamido}-2-(2-chlorophenyl)-N-(2-methylcyclohexyl)acetamide
K784-3795 Screening compound: 2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloroacetamido}-2-(2-chlorophenyl)-N-(2-methylcyclohexyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-3795
2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloroacetamido}-2-(2-chlorophenyl)-N-(2-methylcyclohexyl)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

K784-3795

Molecular Formula

C25H28Cl2N2O4 (C25 H28 Cl2 N2 O4)

Compound Name

2-{N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chloroacetamido}-2-(2-chlorophenyl)-N-(2-methylcyclohexyl)acetamide

IUPAC name

2-{N-[(2H-13-benzodioxol-5-yl)methyl]-2-chloroacetamido}-2-(2-chlorophenyl)-N-(2-methylcyclohexyl)acetamide

SMILES

CC(CCCC1)C1NC(C(c(cccc1)c1Cl)N(Cc(cc1)cc2c1OCO2)C(CCl)=O)=O

InChI

InChI=1S/C25H28Cl2N2O4/c1-16-6-2-5-9-20(16)28-25(31)24(18-7-3-4-8-19(18)27)29(23(30)13-26)14-17-10-11-21-22(12-17)33-15-32-21/h3-4,7-8,10-12,16,20,24H,2,5-6,9,13-15H2,1H3,(H,28,31)

InChI Key

OXBNZVGDKMBCLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03450930

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.963

Distribution Coefficient, logD

4.963

Water Solubility, LogSw

-5.02

Polar Surface Area

56.550

Acid Dissociation Constant (pKa)

15.04

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

44.00

K784-3795 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K784-3795 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-3795?
Check Price and Availability of K784-3795, 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 K784-3795 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-3795
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-3795
  • 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 K784-3795 available by request