K784-6390 Screening compound: 2-{2-chloro-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]acetamido}-N-cycloheptyl-2-(4-methoxyphenyl)acetamide

K784-6390 Screening compound: 2-{2-chloro-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]acetamido}-N-cycloheptyl-2-(4-methoxyphenyl)acetamide
K784-6390 Screening compound: 2-{2-chloro-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]acetamido}-N-cycloheptyl-2-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-6390
2-{2-chloro-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]acetamido}-N-cycloheptyl-2-(4-methoxyphenyl)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

K784-6390

Molecular Formula

C27H33ClN2O5 (C27 H33 ClN2 O5)

Compound Name

2-{2-chloro-N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]acetamido}-N-cycloheptyl-2-(4-methoxyphenyl)acetamide

IUPAC name

2-{2-chloro-N-[(23-dihydro-14-benzodioxin-2-yl)methyl]acetamido}-N-cycloheptyl-2-(4-methoxyphenyl)acetamide

SMILES

COc1ccc(C(C(NC2CCCCCC2)=O)N(CC2Oc(cccc3)c3OC2)C(CCl)=O)cc1

InChI

InChI=1S/C27H33ClN2O5/c1-33-21-14-12-19(13-15-21)26(27(32)29-20-8-4-2-3-5-9-20)30(25(31)16-28)17-22-18-34-23-10-6-7-11-24(23)35-22/h6-7,10-15,20,22,26H,2-5,8-9,16-18H2,1H3,(H,29,32)

InChI Key

IUIITWNPENHAPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03451676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.02

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.745

Distribution Coefficient, logD

4.745

Water Solubility, LogSw

-4.43

Polar Surface Area

62.599

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

2.26

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.10

K784-6390 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 K784-6390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-6390?
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What is the minimum amount of K784-6390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-6390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-6390
  • 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 K784-6390 available by request