K292-2013 Screening compound: methyl 2-(2-{[4-oxo-3-(3-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}propyl)-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate

K292-2013 Screening compound: methyl 2-(2-{[4-oxo-3-(3-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}propyl)-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate
K292-2013 Screening compound: methyl 2-(2-{[4-oxo-3-(3-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}propyl)-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K292-2013
methyl 2-(2-{[4-oxo-3-(3-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}propyl)-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate

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

K292-2013

Molecular Formula

C28H29N5O7S3 (C28 H29 N5 O7 S3)

Compound Name

methyl 2-(2-{[4-oxo-3-(3-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}propyl)-3H,4H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate

IUPAC name

methyl 2-(2-{[4-oxo-3-(3-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}propyl)-3H4H-thieno[32-d]pyrimidin-2-yl]sulfanyl}acetamido)benzoate

SMILES

COC(c(cccc1)c1NC(CSC(N(CCCC(NCCc(cc1)ccc1S(N)(=O)=O)=O)C1=O)=Nc2c1scc2)=O)=O

InChI

InChI=1S/C28H29N5O7S3/c1-40-27(37)20-5-2-3-6-21(20)31-24(35)17-42-28-32-22-13-16-41-25(22)26(36)33(28)15-4-7-23(34)30-14-12-18-8-10-19(11-9-18)43(29,38)39/h2-3,5-6,8-11,13,16H,4,7,12,14-15,17H2,1H3,(H,30,34)(H,31,35)(H2,29,38,39)

InChI Key

CYBWYMOOZFFHBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

643.77

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.136

Distribution Coefficient, logD

1.128

Water Solubility, LogSw

-2.32

Polar Surface Area

145.309

Acid Dissociation Constant (pKa)

9.11

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K292-2013 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)

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
  • 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 K292-2013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K292-2013?
Check Price and Availability of K292-2013, 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 K292-2013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K292-2013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K292-2013
  • 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 K292-2013 available by request