K403-0569 Screening compound: ethyl 2-{2-[(4-cyclohexyl-5-{[(3-fluorophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

K403-0569 Screening compound: ethyl 2-{2-[(4-cyclohexyl-5-{[(3-fluorophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
K403-0569 Screening compound: ethyl 2-{2-[(4-cyclohexyl-5-{[(3-fluorophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K403-0569
ethyl 2-{2-[(4-cyclohexyl-5-{[(3-fluorophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-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

K403-0569

Molecular Formula

C29H34FN5O4S2 (C29 H34 FN5 O4 S2)

Compound Name

ethyl 2-{2-[(4-cyclohexyl-5-{[(3-fluorophenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-{2-[(4-cyclohexyl-5-{[(3-fluorophenyl)formamido]methyl}-4H-124-triazol-3-yl)sulfanyl]acetamido}-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CSc2nnc(CNC(c3cc(F)ccc3)=O)n2C2CCCCC2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C29H34FN5O4S2/c1-2-39-28(38)25-21-13-6-7-14-22(21)41-27(25)32-24(36)17-40-29-34-33-23(35(29)20-11-4-3-5-12-20)16-31-26(37)18-9-8-10-19(30)15-18/h8-10,15,20H,2-7,11-14,16-17H2,1H3,(H,31,37)(H,32,36)

InChI Key

AAADDRBTSUGUGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02652025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

599.75

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.106

Distribution Coefficient, logD

3.055

Water Solubility, LogSw

-4.97

Polar Surface Area

93.825

Acid Dissociation Constant (pKa)

5.35

Base Dissociation Constant (pKb)

2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.30

K403-0569 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Adenosine Receptors Targeted Library (19896 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
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with K403-0569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K403-0569?
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What is the minimum amount of K403-0569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K403-0569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K403-0569
  • 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 K403-0569 available by request