K292-2041 Screening compound: 4-(2-{[(diethylcarbamoyl)methyl]sulfanyl}-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

K292-2041 Screening compound: 4-(2-{[(diethylcarbamoyl)methyl]sulfanyl}-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
K292-2041 Screening compound: 4-(2-{[(diethylcarbamoyl)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 K292-2041
4-(2-{[(diethylcarbamoyl)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

K292-2041

Molecular Formula

C24H31N5O5S3 (C24 H31 N5 O5 S3)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)C(CSC(N(CCCC(NCCc(cc1)ccc1S(N)(=O)=O)=O)C1=O)=Nc2c1scc2)=O

InChI

InChI=1S/C24H31N5O5S3/c1-3-28(4-2)21(31)16-36-24-27-19-12-15-35-22(19)23(32)29(24)14-5-6-20(30)26-13-11-17-7-9-18(10-8-17)37(25,33)34/h7-10,12,15H,3-6,11,13-14,16H2,1-2H3,(H,26,30)(H2,25,33,34)

InChI Key

MRBNENIGNUNXFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

565.74

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.555

Distribution Coefficient, logD

0.554

Water Solubility, LogSw

-2.20

Polar Surface Area

117.360

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

K292-2041 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Eccentric PPI Library (11937 compounds)

Human Kinases Annotated Library (2415 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with K292-2041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K292-2041?
Check Price and Availability of K292-2041, 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 K292-2041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K292-2041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K292-2041
  • 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 K292-2041 available by request