K284-1976 Screening compound: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-3,4-dihydroquinazolin-4-one

K284-1976 Screening compound: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-3,4-dihydroquinazolin-4-one
K284-1976 Screening compound: 3-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-1976
3-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-3,4-dihydroquinazolin-4-one

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

K284-1976

Molecular Formula

C31H34N4O5S (C31 H34 N4 O5 S)

Compound Name

3-[2-(3,4-dimethoxyphenyl)ethyl]-2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-3,4-dihydroquinazolin-4-one

IUPAC name

3-[2-(34-dimethoxyphenyl)ethyl]-2-({2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)-34-dihydroquinazolin-4-one

SMILES

COc(cccc1)c1N(CC1)CCN1C(CSC(N1CCc(cc2)cc(OC)c2OC)=Nc(cccc2)c2C1=O)=O

InChI

InChI=1S/C31H34N4O5S/c1-38-26-11-7-6-10-25(26)33-16-18-34(19-17-33)29(36)21-41-31-32-24-9-5-4-8-23(24)30(37)35(31)15-14-22-12-13-27(39-2)28(20-22)40-3/h4-13,20H,14-19,21H2,1-3H3

InChI Key

HVAWTFBCCFPTSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05023675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

574.7

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.681

Distribution Coefficient, logD

3.680

Water Solubility, LogSw

-3.93

Polar Surface Area

67.993

Acid Dissociation Constant (pKa)

26.28

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.30

K284-1976 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

GPCR Targeted Library (31838 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K284-1976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-1976?
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What is the minimum amount of K284-1976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-1976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-1976
  • 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 K284-1976 available by request