K284-4639 Screening compound: 4-(2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[(furan-2-yl)methyl]butanamide

K284-4639 Screening compound: 4-(2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[(furan-2-yl)methyl]butanamide
K284-4639 Screening compound: 4-(2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[(furan-2-yl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-4639
4-(2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[(furan-2-yl)methyl]butanamide

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

K284-4639

Molecular Formula

C25H22N4O3S (C25 H22 N4 O3 S)

Compound Name

4-(2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)-N-[(furan-2-yl)methyl]butanamide

IUPAC name

4-(2-{[(2-cyanophenyl)methyl]sulfanyl}-4-oxo-34-dihydroquinazolin-3-yl)-N-[(furan-2-yl)methyl]butanamide

SMILES

N#Cc1c(CSC(N2CCCC(NCc3ccco3)=O)=Nc(cccc3)c3C2=O)cccc1

InChI

InChI=1S/C25H22N4O3S/c26-15-18-7-1-2-8-19(18)17-33-25-28-22-11-4-3-10-21(22)24(31)29(25)13-5-12-23(30)27-16-20-9-6-14-32-20/h1-4,6-11,14H,5,12-13,16-17H2,(H,27,30)

InChI Key

LTOCGTNBDBZMDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15088396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.210

Distribution Coefficient, logD

3.210

Water Solubility, LogSw

-3.62

Polar Surface Area

75.026

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K284-4639 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 K284-4639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-4639?
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What is the minimum amount of K284-4639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-4639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-4639
  • 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 K284-4639 available by request