G859-0414 Screening compound: 2-(benzylsulfanyl)-3-(3,5-dimethoxyphenyl)-7-(morpholine-4-carbonyl)-3,4-dihydroquinazolin-4-one

G859-0414 Screening compound: 2-(benzylsulfanyl)-3-(3,5-dimethoxyphenyl)-7-(morpholine-4-carbonyl)-3,4-dihydroquinazolin-4-one
G859-0414 Screening compound: 2-(benzylsulfanyl)-3-(3,5-dimethoxyphenyl)-7-(morpholine-4-carbonyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G859-0414
2-(benzylsulfanyl)-3-(3,5-dimethoxyphenyl)-7-(morpholine-4-carbonyl)-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

G859-0414

Molecular Formula

C28H27N3O5S (C28 H27 N3 O5 S)

Compound Name

2-(benzylsulfanyl)-3-(3,5-dimethoxyphenyl)-7-(morpholine-4-carbonyl)-3,4-dihydroquinazolin-4-one

IUPAC name

2-(benzylsulfanyl)-3-(35-dimethoxyphenyl)-7-(morpholine-4-carbonyl)-34-dihydroquinazolin-4-one

SMILES

COc1cc(N2C(SCc3ccccc3)=Nc(cc(cc3)C(N4CCOCC4)=O)c3C2=O)cc(OC)c1

InChI

InChI=1S/C28H27N3O5S/c1-34-22-15-21(16-23(17-22)35-2)31-27(33)24-9-8-20(26(32)30-10-12-36-13-11-30)14-25(24)29-28(31)37-18-19-6-4-3-5-7-19/h3-9,14-17H,10-13,18H2,1-2H3

InChI Key

COUFNTJHDGUKRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15042123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.61

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

3.288

Distribution Coefficient, logD

3.288

Water Solubility, LogSw

-3.68

Polar Surface Area

64.804

Acid Dissociation Constant (pKa)

28.82

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G859-0414 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G859-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G859-0414?
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What is the minimum amount of G859-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G859-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G859-0414
  • 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 G859-0414 available by request