K289-0488 Screening compound: 3-(3,4-dimethoxyphenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-N-[(furan-2-yl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide

K289-0488 Screening compound: 3-(3,4-dimethoxyphenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-N-[(furan-2-yl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide
K289-0488 Screening compound: 3-(3,4-dimethoxyphenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-N-[(furan-2-yl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K289-0488
3-(3,4-dimethoxyphenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-N-[(furan-2-yl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide

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

K289-0488

Molecular Formula

C29H24FN3O5S (C29 H24 FN3 O5 S)

Compound Name

3-(3,4-dimethoxyphenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-N-[(furan-2-yl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

3-(34-dimethoxyphenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-N-[(furan-2-yl)methyl]-4-oxo-34-dihydroquinazoline-7-carboxamide

SMILES

COc(ccc(N1C(SCc2cc(F)ccc2)=Nc(cc(cc2)C(NCc3ccco3)=O)c2C1=O)c1)c1OC

InChI

InChI=1S/C29H24FN3O5S/c1-36-25-11-9-21(15-26(25)37-2)33-28(35)23-10-8-19(27(34)31-16-22-7-4-12-38-22)14-24(23)32-29(33)39-17-18-5-3-6-20(30)13-18/h3-15H,16-17H2,1-2H3,(H,31,34)

InChI Key

KFWCKSYEUCFZMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05023920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.525

Distribution Coefficient, logD

4.525

Water Solubility, LogSw

-4.41

Polar Surface Area

72.582

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

K289-0488 in Drug Discovery

Included in Screening Libraries

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

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

Included in 1.7M Stock Database

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 K289-0488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K289-0488?
Check Price and Availability of K289-0488, 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 K289-0488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K289-0488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K289-0488
  • 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 K289-0488 available by request