G859-0389 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-3-(3,5-dimethoxyphenyl)-7-(piperidine-1-carbonyl)-3,4-dihydroquinazolin-4-one

G859-0389 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-3-(3,5-dimethoxyphenyl)-7-(piperidine-1-carbonyl)-3,4-dihydroquinazolin-4-one
G859-0389 Screening compound: 2-{[(2-chlorophenyl)methyl]sulfanyl}-3-(3,5-dimethoxyphenyl)-7-(piperidine-1-carbonyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G859-0389
2-{[(2-chlorophenyl)methyl]sulfanyl}-3-(3,5-dimethoxyphenyl)-7-(piperidine-1-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

G859-0389

Molecular Formula

C29H28ClN3O4S (C29 H28 ClN3 O4 S)

Compound Name

2-{[(2-chlorophenyl)methyl]sulfanyl}-3-(3,5-dimethoxyphenyl)-7-(piperidine-1-carbonyl)-3,4-dihydroquinazolin-4-one

IUPAC name

2-{[(2-chlorophenyl)methyl]sulfanyl}-3-(35-dimethoxyphenyl)-7-(piperidine-1-carbonyl)-34-dihydroquinazolin-4-one

SMILES

COc1cc(N2C(SCc(cccc3)c3Cl)=Nc(cc(cc3)C(N4CCCCC4)=O)c3C2=O)cc(OC)c1

InChI

InChI=1S/C29H28ClN3O4S/c1-36-22-15-21(16-23(17-22)37-2)33-28(35)24-11-10-19(27(34)32-12-6-3-7-13-32)14-26(24)31-29(33)38-18-20-8-4-5-9-25(20)30/h4-5,8-11,14-17H,3,6-7,12-13,18H2,1-2H3

InChI Key

AHIPTBJJKKKVCF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15042111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.08

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.383

Distribution Coefficient, logD

5.383

Water Solubility, LogSw

-5.79

Polar Surface Area

56.895

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

G859-0389 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with G859-0389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G859-0389?
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What is the minimum amount of G859-0389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G859-0389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G859-0389
  • 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 G859-0389 available by request