K403-0679 Screening compound: ethyl 2-{2-[(4-cyclohexyl-5-{[(3,4-dimethoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

K403-0679 Screening compound: ethyl 2-{2-[(4-cyclohexyl-5-{[(3,4-dimethoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate
K403-0679 Screening compound: ethyl 2-{2-[(4-cyclohexyl-5-{[(3,4-dimethoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K403-0679
ethyl 2-{2-[(4-cyclohexyl-5-{[(3,4-dimethoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-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

K403-0679

Molecular Formula

C32H41N5O6S2 (C32 H41 N5 O6 S2)

Compound Name

ethyl 2-{2-[(4-cyclohexyl-5-{[(3,4-dimethoxyphenyl)formamido]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

IUPAC name

ethyl 2-{2-[(4-cyclohexyl-5-{[(34-dimethoxyphenyl)formamido]methyl}-4H-124-triazol-3-yl)sulfanyl]acetamido}-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CSc2nnc(CNC(c(cc3)cc(OC)c3OC)=O)n2C2CCCCC2)=O)sc2c1CCCCC2)=O

InChI

InChI=1S/C32H41N5O6S2/c1-4-43-31(40)28-22-13-9-6-10-14-25(22)45-30(28)34-27(38)19-44-32-36-35-26(37(32)21-11-7-5-8-12-21)18-33-29(39)20-15-16-23(41-2)24(17-20)42-3/h15-17,21H,4-14,18-19H2,1-3H3,(H,33,39)(H,34,38)

InChI Key

FPNNUZLFVGWWBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04411069

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

655.84

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.104

Distribution Coefficient, logD

3.053

Water Solubility, LogSw

-4.96

Polar Surface Area

109.417

Acid Dissociation Constant (pKa)

5.35

Base Dissociation Constant (pKb)

2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.10

K403-0679 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)

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
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K403-0679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K403-0679?
Check Price and Availability of K403-0679, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K403-0679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K403-0679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K403-0679
  • 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 K403-0679 available by request