K784-5947 Screening compound: 2-{2-chloro-N-[(oxolan-2-yl)methyl]acetamido}-2-(4-chlorophenyl)-N-cycloheptylacetamide

K784-5947 Screening compound: 2-{2-chloro-N-[(oxolan-2-yl)methyl]acetamido}-2-(4-chlorophenyl)-N-cycloheptylacetamide
K784-5947 Screening compound: 2-{2-chloro-N-[(oxolan-2-yl)methyl]acetamido}-2-(4-chlorophenyl)-N-cycloheptylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-5947
2-{2-chloro-N-[(oxolan-2-yl)methyl]acetamido}-2-(4-chlorophenyl)-N-cycloheptylacetamide

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

K784-5947

Molecular Formula

C22H30Cl2N2O3 (C22 H30 Cl2 N2 O3)

Compound Name

2-{2-chloro-N-[(oxolan-2-yl)methyl]acetamido}-2-(4-chlorophenyl)-N-cycloheptylacetamide

IUPAC name

2-{2-chloro-N-[(oxolan-2-yl)methyl]acetamido}-2-(4-chlorophenyl)-N-cycloheptylacetamide

SMILES

O=C(CCl)N(CC1OCCC1)C(C(NC1CCCCCC1)=O)c(cc1)ccc1Cl

InChI

InChI=1S/C22H30Cl2N2O3/c23-14-20(27)26(15-19-8-5-13-29-19)21(16-9-11-17(24)12-10-16)22(28)25-18-6-3-1-2-4-7-18/h9-12,18-19,21H,1-8,13-15H2,(H,25,28)

InChI Key

DIPIOZFYNIKVRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03451558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.143

Distribution Coefficient, logD

4.143

Water Solubility, LogSw

-4.71

Polar Surface Area

48.030

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

2.59

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

63.60

K784-5947 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with K784-5947 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-5947?
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What is the minimum amount of K784-5947 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-5947
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-5947
  • 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 K784-5947 available by request