G858-0507 Screening compound: 3-(4-fluorophenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-7-(morpholine-4-carbonyl)-3,4-dihydroquinazolin-4-one

G858-0507 Screening compound: 3-(4-fluorophenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-7-(morpholine-4-carbonyl)-3,4-dihydroquinazolin-4-one
G858-0507 Screening compound: 3-(4-fluorophenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-7-(morpholine-4-carbonyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G858-0507
3-(4-fluorophenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-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

G858-0507

Molecular Formula

C27H24FN3O3S (C27 H24 FN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CSC(N2c(cc3)ccc3F)=Nc(cc(cc3)C(N4CCOCC4)=O)c3C2=O)cccc1

InChI

InChI=1S/C27H24FN3O3S/c1-18-4-2-3-5-20(18)17-35-27-29-24-16-19(25(32)30-12-14-34-15-13-30)6-11-23(24)26(33)31(27)22-9-7-21(28)8-10-22/h2-11,16H,12-15,17H2,1H3

InChI Key

YVLXIFPXBSPBOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11993641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.996

Distribution Coefficient, logD

3.995

Water Solubility, LogSw

-4.15

Polar Surface Area

49.716

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

G858-0507 in Drug Discovery

Included in Screening Libraries

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G858-0507 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G858-0507?
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What is the minimum amount of G858-0507 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G858-0507
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G858-0507
  • 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 G858-0507 available by request