K292-1213 Screening compound: 6-(2-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)hexanamide

K292-1213 Screening compound: 6-(2-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)hexanamide
K292-1213 Screening compound: 6-(2-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K292-1213
6-(2-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)hexanamide

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

K292-1213

Molecular Formula

C28H27Cl2N3O3S2 (C28 H27 Cl2 N3 O3 S2)

Compound Name

6-(2-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-(2-phenylethyl)hexanamide

IUPAC name

6-(2-{[2-(34-dichlorophenyl)-2-oxoethyl]sulfanyl}-4-oxo-3H4H-thieno[32-d]pyrimidin-3-yl)-N-(2-phenylethyl)hexanamide

SMILES

O=C(CSC(N(CCCCCC(NCCc1ccccc1)=O)C1=O)=Nc2c1scc2)c(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C28H27Cl2N3O3S2/c29-21-11-10-20(17-22(21)30)24(34)18-38-28-32-23-13-16-37-26(23)27(36)33(28)15-6-2-5-9-25(35)31-14-12-19-7-3-1-4-8-19/h1,3-4,7-8,10-11,13,16-17H,2,5-6,9,12,14-15,18H2,(H,31,35)

InChI Key

MKIAPRBFWPSYDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15091709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

588.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.707

Distribution Coefficient, logD

5.707

Water Solubility, LogSw

-6.03

Polar Surface Area

64.328

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

K292-1213 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)

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 K292-1213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K292-1213?
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What is the minimum amount of K292-1213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K292-1213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K292-1213
  • 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 K292-1213 available by request