K289-0149 Screening compound: 3-allyl-7-(morpholinocarbonyl)-2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-4(3H)-quinazolinone

K289-0149 Screening compound: 3-allyl-7-(morpholinocarbonyl)-2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-4(3H)-quinazolinone
K289-0149 Screening compound: 3-allyl-7-(morpholinocarbonyl)-2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-4(3H)-quinazolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound K289-0149
3-allyl-7-(morpholinocarbonyl)-2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-4(3H)-quinazolinone

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

K289-0149

Molecular Formula

C22H26N4O4S (C22 H26 N4 O4 S)

Compound Name

3-allyl-7-(morpholinocarbonyl)-2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}-4(3H)-quinazolinone

IUPAC name

7-(morpholine-4-carbonyl)-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-34-dihydroquinazolin-4-one

SMILES

C=CCN1C(SCC(N2CCCC2)=O)=Nc(cc(cc2)C(N3CCOCC3)=O)c2C1=O

InChI

InChI=1S/C22H26N4O4S/c1-2-7-26-21(29)17-6-5-16(20(28)25-10-12-30-13-11-25)14-18(17)23-22(26)31-15-19(27)24-8-3-4-9-24/h2,5-6,14H,1,3-4,7-13,15H2

InChI Key

AUCNULHEZNVFQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15091331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.084

Distribution Coefficient, logD

1.084

Water Solubility, LogSw

-2.35

Polar Surface Area

67.336

Acid Dissociation Constant (pKa)

28.32

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

K289-0149 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K289-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K289-0149?
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What is the minimum amount of K289-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K289-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K289-0149
  • 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 K289-0149 available by request