K292-2049 Screening compound: benzyl 2-{[4-oxo-3-(3-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}propyl)-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetate

K292-2049 Screening compound: benzyl 2-{[4-oxo-3-(3-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}propyl)-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetate
K292-2049 Screening compound: benzyl 2-{[4-oxo-3-(3-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}propyl)-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K292-2049
benzyl 2-{[4-oxo-3-(3-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}propyl)-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetate

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

K292-2049

Molecular Formula

C27H28N4O6S3 (C27 H28 N4 O6 S3)

Compound Name

benzyl 2-{[4-oxo-3-(3-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}propyl)-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetate

IUPAC name

benzyl 2-{[4-oxo-3-(3-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}propyl)-3H4H-thieno[32-d]pyrimidin-2-yl]sulfanyl}acetate

SMILES

NS(c1ccc(CCNC(CCCN(C2=O)C(SCC(OCc3ccccc3)=O)=Nc3c2scc3)=O)cc1)(=O)=O

InChI

InChI=1S/C27H28N4O6S3/c28-40(35,36)21-10-8-19(9-11-21)12-14-29-23(32)7-4-15-31-26(34)25-22(13-16-38-25)30-27(31)39-18-24(33)37-17-20-5-2-1-3-6-20/h1-3,5-6,8-11,13,16H,4,7,12,14-15,17-18H2,(H,29,32)(H2,28,35,36)

InChI Key

VANZFAZQWUTYAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

600.74

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.892

Distribution Coefficient, logD

1.891

Water Solubility, LogSw

-2.44

Polar Surface Area

122.218

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

K292-2049 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

PLpro Library (6343 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K292-2049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K292-2049?
Check Price and Availability of K292-2049, 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 K292-2049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K292-2049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K292-2049
  • 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 K292-2049 available by request