K289-0290 Screening compound: ethyl 4-[(3-{4-[(2-methoxyethyl)carbamoyl]phenyl}-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-3-oxobutanoate

K289-0290 Screening compound: ethyl 4-[(3-{4-[(2-methoxyethyl)carbamoyl]phenyl}-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-3-oxobutanoate
K289-0290 Screening compound: ethyl 4-[(3-{4-[(2-methoxyethyl)carbamoyl]phenyl}-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-3-oxobutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K289-0290
ethyl 4-[(3-{4-[(2-methoxyethyl)carbamoyl]phenyl}-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-3-oxobutanoate

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

K289-0290

Molecular Formula

C24H25N3O6S (C24 H25 N3 O6 S)

Compound Name

ethyl 4-[(3-{4-[(2-methoxyethyl)carbamoyl]phenyl}-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-3-oxobutanoate

IUPAC name

ethyl 4-[(3-{4-[(2-methoxyethyl)carbamoyl]phenyl}-4-oxo-34-dihydroquinazolin-2-yl)sulfanyl]-3-oxobutanoate

SMILES

CCOC(CC(CSC(N1c(cc2)ccc2C(NCCOC)=O)=Nc(cccc2)c2C1=O)=O)=O

InChI

InChI=1S/C24H25N3O6S/c1-3-33-21(29)14-18(28)15-34-24-26-20-7-5-4-6-19(20)23(31)27(24)17-10-8-16(9-11-17)22(30)25-12-13-32-2/h4-11H,3,12-15H2,1-2H3,(H,25,30)

InChI Key

JXBDJGJMCLMCIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02651727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.362

Distribution Coefficient, logD

1.362

Water Solubility, LogSw

-2.50

Polar Surface Area

91.214

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

K289-0290 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)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K289-0290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K289-0290?
Check Price and Availability of K289-0290, 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 K289-0290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K289-0290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K289-0290
  • 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 K289-0290 available by request