K292-2052 Screening compound: 4-(2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

K292-2052 Screening compound: 4-(2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
K292-2052 Screening compound: 4-(2-{[(2-chloro-4-fluorophenyl)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 K292-2052
4-(2-{[(2-chloro-4-fluorophenyl)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

K292-2052

Molecular Formula

C25H24ClFN4O4S3 (C25 H24 ClFN4 O4 S3)

Compound Name

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

IUPAC name

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

SMILES

NS(c1ccc(CCNC(CCCN(C2=O)C(SCc(ccc(F)c3)c3Cl)=Nc3c2scc3)=O)cc1)(=O)=O

InChI

InChI=1S/C25H24ClFN4O4S3/c26-20-14-18(27)6-5-17(20)15-37-25-30-21-10-13-36-23(21)24(33)31(25)12-1-2-22(32)29-11-9-16-3-7-19(8-4-16)38(28,34)35/h3-8,10,13-14H,1-2,9,11-12,15H2,(H,29,32)(H2,28,34,35)

InChI Key

ICKXYMAHCYPUKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

595.14

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.913

Distribution Coefficient, logD

2.912

Water Solubility, LogSw

-3.56

Polar Surface Area

101.684

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

K292-2052 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K292-2052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K292-2052?
Check Price and Availability of K292-2052, 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 K292-2052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K292-2052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K292-2052
  • 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 K292-2052 available by request