K289-0369 Screening compound: 3-(4-fluorophenyl)-N-[(furan-2-yl)methyl]-4-oxo-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3,4-dihydroquinazoline-7-carboxamide

K289-0369 Screening compound: 3-(4-fluorophenyl)-N-[(furan-2-yl)methyl]-4-oxo-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3,4-dihydroquinazoline-7-carboxamide
K289-0369 Screening compound: 3-(4-fluorophenyl)-N-[(furan-2-yl)methyl]-4-oxo-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K289-0369
3-(4-fluorophenyl)-N-[(furan-2-yl)methyl]-4-oxo-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-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

K289-0369

Molecular Formula

C26H23FN4O4S (C26 H23 FN4 O4 S)

Compound Name

3-(4-fluorophenyl)-N-[(furan-2-yl)methyl]-4-oxo-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

3-(4-fluorophenyl)-N-[(furan-2-yl)methyl]-4-oxo-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-34-dihydroquinazoline-7-carboxamide

SMILES

O=C(CSC(N1c(cc2)ccc2F)=Nc(cc(cc2)C(NCc3ccco3)=O)c2C1=O)N1CCCC1

InChI

InChI=1S/C26H23FN4O4S/c27-18-6-8-19(9-7-18)31-25(34)21-10-5-17(24(33)28-15-20-4-3-13-35-20)14-22(21)29-26(31)36-16-23(32)30-11-1-2-12-30/h3-10,13-14H,1-2,11-12,15-16H2,(H,28,33)

InChI Key

XPEIYXBCKJRCHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05023914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.216

Distribution Coefficient, logD

3.215

Water Solubility, LogSw

-3.67

Polar Surface Area

74.080

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

K289-0369 in Drug Discovery

Included in Screening Libraries

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K289-0369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K289-0369?
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What is the minimum amount of K289-0369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K289-0369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K289-0369
  • 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 K289-0369 available by request