K784-4114 Screening compound: ethyl 4-({N-[(4-chlorophenyl)methyl]3-[(2-ethyl-6-methylphenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)cyclohexane-1-carboxylate

K784-4114 Screening compound: ethyl 4-({N-[(4-chlorophenyl)methyl]3-[(2-ethyl-6-methylphenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)cyclohexane-1-carboxylate
K784-4114 Screening compound: ethyl 4-({N-[(4-chlorophenyl)methyl]3-[(2-ethyl-6-methylphenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)cyclohexane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-4114
ethyl 4-({N-[(4-chlorophenyl)methyl]3-[(2-ethyl-6-methylphenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)cyclohexane-1-carboxylate

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

K784-4114

Molecular Formula

C33H38ClFN2O5S (C33 H38 ClFN2 O5 S)

Compound Name

ethyl 4-({N-[(4-chlorophenyl)methyl]3-[(2-ethyl-6-methylphenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)cyclohexane-1-carboxylate

IUPAC name

ethyl 4-({N-[(4-chlorophenyl)methyl]3-[(2-ethyl-6-methylphenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)cyclohexane-1-carboxylate

SMILES

CCc(cccc1C)c1NC(c(cc(cc1)S(N(CC(CC2)CCC2C(OCC)=O)Cc(cc2)ccc2Cl)(=O)=O)c1F)=O

InChI

InChI=1S/C33H38ClFN2O5S/c1-4-25-8-6-7-22(3)31(25)36-32(38)29-19-28(17-18-30(29)35)43(40,41)37(21-24-11-15-27(34)16-12-24)20-23-9-13-26(14-10-23)33(39)42-5-2/h6-8,11-12,15-19,23,26H,4-5,9-10,13-14,20-21H2,1-3H3,(H,36,38)

InChI Key

APFHEABQUASXPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15097790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

629.19

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.604

Distribution Coefficient, logD

7.601

Water Solubility, LogSw

-6.34

Polar Surface Area

73.984

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.40

K784-4114 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • GPCR
  • Phosphatases

References: we are preparing a list of scientific research reports with K784-4114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-4114?
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What is the minimum amount of K784-4114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-4114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-4114
  • 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 K784-4114 available by request