G859-0072 Screening compound: 3-(3-fluorophenyl)-7-(morpholine-4-carbonyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one

G859-0072 Screening compound: 3-(3-fluorophenyl)-7-(morpholine-4-carbonyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one
G859-0072 Screening compound: 3-(3-fluorophenyl)-7-(morpholine-4-carbonyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G859-0072
3-(3-fluorophenyl)-7-(morpholine-4-carbonyl)-2-{[(4-nitrophenyl)methyl]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

G859-0072

Molecular Formula

C26H21FN4O5S (C26 H21 FN4 O5 S)

Compound Name

3-(3-fluorophenyl)-7-(morpholine-4-carbonyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one

IUPAC name

3-(3-fluorophenyl)-7-(morpholine-4-carbonyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-34-dihydroquinazolin-4-one

SMILES

[O-][N+](c1ccc(CSC(N2c3cc(F)ccc3)=Nc(cc(cc3)C(N4CCOCC4)=O)c3C2=O)cc1)=O

InChI

InChI=1S/C26H21FN4O5S/c27-19-2-1-3-21(15-19)30-25(33)22-9-6-18(24(32)29-10-12-36-13-11-29)14-23(22)28-26(30)37-16-17-4-7-20(8-5-17)31(34)35/h1-9,14-15H,10-13,16H2

InChI Key

XUDIIFVQHUEAIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15041915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.890

Distribution Coefficient, logD

2.890

Water Solubility, LogSw

-3.55

Polar Surface Area

83.098

Acid Dissociation Constant (pKa)

28.82

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

G859-0072 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G859-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G859-0072?
Check Price and Availability of G859-0072, 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 G859-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G859-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G859-0072
  • 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 G859-0072 available by request