K784-6653 Screening compound: 2-{2-chloro-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]acetamido}-2-(4-chlorophenyl)-N-cyclopentylacetamide

K784-6653 Screening compound: 2-{2-chloro-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]acetamido}-2-(4-chlorophenyl)-N-cyclopentylacetamide
K784-6653 Screening compound: 2-{2-chloro-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]acetamido}-2-(4-chlorophenyl)-N-cyclopentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-6653
2-{2-chloro-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]acetamido}-2-(4-chlorophenyl)-N-cyclopentylacetamide

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

K784-6653

Molecular Formula

C24H26Cl2N2O4 (C24 H26 Cl2 N2 O4)

Compound Name

2-{2-chloro-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]acetamido}-2-(4-chlorophenyl)-N-cyclopentylacetamide

IUPAC name

2-{2-chloro-N-[(23-dihydro-14-benzodioxin-2-yl)methyl]acetamido}-2-(4-chlorophenyl)-N-cyclopentylacetamide

SMILES

O=C(CCl)N(CC1Oc(cccc2)c2OC1)C(C(NC1CCCC1)=O)c(cc1)ccc1Cl

InChI

InChI=1S/C24H26Cl2N2O4/c25-13-22(29)28(14-19-15-31-20-7-3-4-8-21(20)32-19)23(16-9-11-17(26)12-10-16)24(30)27-18-5-1-2-6-18/h3-4,7-12,18-19,23H,1-2,5-6,13-15H2,(H,27,30)

InChI Key

SJMWGLRLLBNFNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03451721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.39

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

4.406

Distribution Coefficient, logD

4.406

Water Solubility, LogSw

-4.93

Polar Surface Area

55.090

Acid Dissociation Constant (pKa)

15.29

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.70

K784-6653 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)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K784-6653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-6653?
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What is the minimum amount of K784-6653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-6653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-6653
  • 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 K784-6653 available by request