K784-4354 Screening compound: ethyl 4-({N-[(4-methoxyphenyl)methyl]3-[(2,5-dimethylphenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)cyclohexane-1-carboxylate

K784-4354 Screening compound: ethyl 4-({N-[(4-methoxyphenyl)methyl]3-[(2,5-dimethylphenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)cyclohexane-1-carboxylate
K784-4354 Screening compound: ethyl 4-({N-[(4-methoxyphenyl)methyl]3-[(2,5-dimethylphenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)cyclohexane-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-4354
ethyl 4-({N-[(4-methoxyphenyl)methyl]3-[(2,5-dimethylphenyl)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

K784-4354

Molecular Formula

C33H39FN2O6S (C33 H39 FN2 O6 S)

Compound Name

ethyl 4-({N-[(4-methoxyphenyl)methyl]3-[(2,5-dimethylphenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)cyclohexane-1-carboxylate

IUPAC name

ethyl 4-({N-[(4-methoxyphenyl)methyl]3-[(25-dimethylphenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)cyclohexane-1-carboxylate

SMILES

CCOC(C1CCC(CN(Cc(cc2)ccc2OC)S(c(cc2)cc(C(Nc3c(C)ccc(C)c3)=O)c2F)(=O)=O)CC1)=O

InChI

InChI=1S/C33H39FN2O6S/c1-5-42-33(38)26-12-8-24(9-13-26)20-36(21-25-10-14-27(41-4)15-11-25)43(39,40)28-16-17-30(34)29(19-28)32(37)35-31-18-22(2)6-7-23(31)3/h6-7,10-11,14-19,24,26H,5,8-9,12-13,20-21H2,1-4H3,(H,35,37)

InChI Key

LADDZQKIUCQGBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15097866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

610.75

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.699

Distribution Coefficient, logD

6.696

Water Solubility, LogSw

-5.62

Polar Surface Area

82.225

Acid Dissociation Constant (pKa)

9.56

Base Dissociation Constant (pKb)

-2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.40

K784-4354 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CNS targets activity set (6557 compounds)

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

Human GPCR Annotated Library (5539 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K784-4354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-4354?
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What is the minimum amount of K784-4354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-4354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-4354
  • 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 K784-4354 available by request