K784-7128 Screening compound: 2-(4-butoxyphenyl)-2-{2-chloro-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]acetamido}-N-cyclohexylacetamide

K784-7128 Screening compound: 2-(4-butoxyphenyl)-2-{2-chloro-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]acetamido}-N-cyclohexylacetamide
K784-7128 Screening compound: 2-(4-butoxyphenyl)-2-{2-chloro-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]acetamido}-N-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-7128
2-(4-butoxyphenyl)-2-{2-chloro-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]acetamido}-N-cyclohexylacetamide

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

K784-7128

Molecular Formula

C29H37ClN2O5 (C29 H37 ClN2 O5)

Compound Name

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

IUPAC name

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

SMILES

CCCCOc1ccc(C(C(NC2CCCCC2)=O)N(CC2Oc(cccc3)c3OC2)C(CCl)=O)cc1

InChI

InChI=1S/C29H37ClN2O5/c1-2-3-17-35-23-15-13-21(14-16-23)28(29(34)31-22-9-5-4-6-10-22)32(27(33)18-30)19-24-20-36-25-11-7-8-12-26(25)37-24/h7-8,11-16,22,24,28H,2-6,9-10,17-20H2,1H3,(H,31,34)

InChI Key

SYUNGKJYLKKBPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03451826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.08

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.699

Distribution Coefficient, logD

5.699

Water Solubility, LogSw

-5.50

Polar Surface Area

62.142

Acid Dissociation Constant (pKa)

14.63

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

51.70

K784-7128 in Drug Discovery

Included in Screening Libraries

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 K784-7128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-7128?
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What is the minimum amount of K784-7128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-7128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-7128
  • 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 K784-7128 available by request