K292-2045 Screening compound: 4-{2-[({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)sulfanyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

K292-2045 Screening compound: 4-{2-[({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}methyl)sulfanyl]-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-3-yl}-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
K292-2045 Screening compound: 4-{2-[({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}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 K292-2045
4-{2-[({[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}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

K292-2045

Molecular Formula

C30H35N5O7S3 (C30 H35 N5 O7 S3)

Compound Name

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

IUPAC name

4-{2-[({[2-(34-dimethoxyphenyl)ethyl]carbamoyl}methyl)sulfanyl]-4-oxo-3H4H-thieno[32-d]pyrimidin-3-yl}-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

SMILES

COc(ccc(CCNC(CSC(N(CCCC(NCCc(cc1)ccc1S(N)(=O)=O)=O)C1=O)=Nc2c1scc2)=O)c1)c1OC

InChI

InChI=1S/C30H35N5O7S3/c1-41-24-10-7-21(18-25(24)42-2)12-15-33-27(37)19-44-30-34-23-13-17-43-28(23)29(38)35(30)16-3-4-26(36)32-14-11-20-5-8-22(9-6-20)45(31,39)40/h5-10,13,17-18H,3-4,11-12,14-16,19H2,1-2H3,(H,32,36)(H,33,37)(H2,31,39,40)

InChI Key

ZNGDRCOBWGSQOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

673.84

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

0.385

Distribution Coefficient, logD

0.384

Water Solubility, LogSw

-2.25

Polar Surface Area

141.258

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K292-2045 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

PLpro Library (6343 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K292-2045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K292-2045?
Check Price and Availability of K292-2045, 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 K292-2045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K292-2045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K292-2045
  • 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 K292-2045 available by request