G859-0391 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-3-(3,5-dimethoxyphenyl)-7-(piperidine-1-carbonyl)-3,4-dihydroquinazolin-4-one

G859-0391 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-3-(3,5-dimethoxyphenyl)-7-(piperidine-1-carbonyl)-3,4-dihydroquinazolin-4-one
G859-0391 Screening compound: 2-{[(3-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 G859-0391
2-{[(3-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

G859-0391

Molecular Formula

C29H28ClN3O4S (C29 H28 ClN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cc(N2C(SCc3cccc(Cl)c3)=Nc(cc(cc3)C(N4CCCCC4)=O)c3C2=O)cc(OC)c1

InChI

InChI=1S/C29H28ClN3O4S/c1-36-23-15-22(16-24(17-23)37-2)33-28(35)25-10-9-20(27(34)32-11-4-3-5-12-32)14-26(25)31-29(33)38-18-19-7-6-8-21(30)13-19/h6-10,13-17H,3-5,11-12,18H2,1-2H3

InChI Key

VXBTTWZIODOGAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15042112

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

5.380

Distribution Coefficient, logD

5.380

Water Solubility, LogSw

-5.79

Polar Surface Area

56.895

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

G859-0391 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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 G859-0391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G859-0391?
Check Price and Availability of G859-0391, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G859-0391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G859-0391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G859-0391
  • 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 G859-0391 available by request