K292-1999 Screening compound: 2-({4-oxo-3-[(pyridin-2-yl)methyl]-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-phenyl-N-(prop-2-en-1-yl)acetamide

K292-1999 Screening compound: 2-({4-oxo-3-[(pyridin-2-yl)methyl]-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-phenyl-N-(prop-2-en-1-yl)acetamide
K292-1999 Screening compound: 2-({4-oxo-3-[(pyridin-2-yl)methyl]-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-phenyl-N-(prop-2-en-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K292-1999
2-({4-oxo-3-[(pyridin-2-yl)methyl]-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-phenyl-N-(prop-2-en-1-yl)acetamide

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

K292-1999

Molecular Formula

C23H20N4O2S2 (C23 H20 N4 O2 S2)

Compound Name

2-({4-oxo-3-[(pyridin-2-yl)methyl]-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-phenyl-N-(prop-2-en-1-yl)acetamide

IUPAC name

2-({4-oxo-3-[(pyridin-2-yl)methyl]-3H4H-thieno[32-d]pyrimidin-2-yl}sulfanyl)-N-phenyl-N-(prop-2-en-1-yl)acetamide

SMILES

C=CCN(C(CSC(N(Cc1ncccc1)C1=O)=Nc2c1scc2)=O)c1ccccc1

InChI

InChI=1S/C23H20N4O2S2/c1-2-13-26(18-9-4-3-5-10-18)20(28)16-31-23-25-19-11-14-30-21(19)22(29)27(23)15-17-8-6-7-12-24-17/h2-12,14H,1,13,15-16H2

InChI Key

CHNWBLFBBQFNEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05032787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.621

Distribution Coefficient, logD

3.621

Water Solubility, LogSw

-3.71

Polar Surface Area

51.678

Acid Dissociation Constant (pKa)

28.05

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

K292-1999 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
Targets:
  • Proteases
  • Ion Channels

References: we are preparing a list of scientific research reports with K292-1999 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K292-1999?
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What is the minimum amount of K292-1999 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K292-1999
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K292-1999
  • 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 K292-1999 available by request