K292-2005 Screening compound: 4-[2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

K292-2005 Screening compound: 4-[2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
K292-2005 Screening compound: 4-[2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K292-2005
4-[2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

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

K292-2005

Molecular Formula

C28H31N5O6S3 (C28 H31 N5 O6 S3)

Compound Name

4-[2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

IUPAC name

4-[2-({[(4-ethoxyphenyl)carbamoyl]methyl}sulfanyl)-4-oxo-3H4H-thieno[32-d]pyrimidin-3-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

SMILES

CCOc(cc1)ccc1NC(CSC(N(CCCC(NCCc(cc1)ccc1S(N)(=O)=O)=O)C1=O)=Nc2c1scc2)=O

InChI

InChI=1S/C28H31N5O6S3/c1-2-39-21-9-7-20(8-10-21)31-25(35)18-41-28-32-23-14-17-40-26(23)27(36)33(28)16-3-4-24(34)30-15-13-19-5-11-22(12-6-19)42(29,37)38/h5-12,14,17H,2-4,13,15-16,18H2,1H3,(H,30,34)(H,31,35)(H2,29,37,38)

InChI Key

PQZPCJLFSUSGNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

629.78

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.780

Distribution Coefficient, logD

1.780

Water Solubility, LogSw

-2.48

Polar Surface Area

131.957

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

K292-2005 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 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 K292-2005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K292-2005?
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What is the minimum amount of K292-2005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K292-2005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K292-2005
  • 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 K292-2005 available by request