K289-0173 Screening compound: N-[(furan-2-yl)methyl]-4-oxo-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide

K289-0173 Screening compound: N-[(furan-2-yl)methyl]-4-oxo-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide
K289-0173 Screening compound: N-[(furan-2-yl)methyl]-4-oxo-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K289-0173
N-[(furan-2-yl)methyl]-4-oxo-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-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

K289-0173

Molecular Formula

C23H24N4O4S (C23 H24 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

C=CCN1C(SCC(N2CCCC2)=O)=Nc(cc(cc2)C(NCc3ccco3)=O)c2C1=O

InChI

InChI=1S/C23H24N4O4S/c1-2-9-27-22(30)18-8-7-16(21(29)24-14-17-6-5-12-31-17)13-19(18)25-23(27)32-15-20(28)26-10-3-4-11-26/h2,5-8,12-13H,1,3-4,9-11,14-15H2,(H,24,29)

InChI Key

YNYSUWAEEOHQMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05025089

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.53

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

2.662

Distribution Coefficient, logD

2.662

Water Solubility, LogSw

-3.28

Polar Surface Area

74.942

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

K289-0173 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 K289-0173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K289-0173?
Check Price and Availability of K289-0173, 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 K289-0173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K289-0173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K289-0173
  • 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 K289-0173 available by request