K284-4973 Screening compound: 2-{[3-benzyl-4-oxo-6-(piperidin-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]butanamide

K284-4973 Screening compound: 2-{[3-benzyl-4-oxo-6-(piperidin-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]butanamide
K284-4973 Screening compound: 2-{[3-benzyl-4-oxo-6-(piperidin-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-4973
2-{[3-benzyl-4-oxo-6-(piperidin-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-[(pyridin-3-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

K284-4973

Molecular Formula

C30H33N5O2S (C30 H33 N5 O2 S)

Compound Name

2-{[3-benzyl-4-oxo-6-(piperidin-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]butanamide

IUPAC name

2-{[3-benzyl-4-oxo-6-(piperidin-1-yl)-34-dihydroquinazolin-2-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]butanamide

SMILES

CCC(C(NCc1cnccc1)=O)SC(N1Cc2ccccc2)=Nc(ccc(N2CCCCC2)c2)c2C1=O

InChI

InChI=1S/C30H33N5O2S/c1-2-27(28(36)32-20-23-12-9-15-31-19-23)38-30-33-26-14-13-24(34-16-7-4-8-17-34)18-25(26)29(37)35(30)21-22-10-5-3-6-11-22/h3,5-6,9-15,18-19,27H,2,4,7-8,16-17,20-21H2,1H3,(H,32,36)/t27-/m0/s1

InChI Key

QESRCYZUIDJNPN-MHZLTWQESA-N

MDL Number (MFCD)

MFCD15088597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.69

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.481

Distribution Coefficient, logD

4.479

Water Solubility, LogSw

-4.07

Polar Surface Area

63.426

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

K284-4973 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

GPCR Targeted Library (31838 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K284-4973 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-4973?
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What is the minimum amount of K284-4973 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-4973
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-4973
  • 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 K284-4973 available by request