G858-0468 Screening compound: 3-(4-fluorophenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-7-(piperidine-1-carbonyl)-3,4-dihydroquinazolin-4-one

G858-0468 Screening compound: 3-(4-fluorophenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-7-(piperidine-1-carbonyl)-3,4-dihydroquinazolin-4-one
G858-0468 Screening compound: 3-(4-fluorophenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-7-(piperidine-1-carbonyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G858-0468
3-(4-fluorophenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-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

G858-0468

Molecular Formula

C28H26FN3O2S (C28 H26 FN3 O2 S)

Compound Name

3-(4-fluorophenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-7-(piperidine-1-carbonyl)-3,4-dihydroquinazolin-4-one

IUPAC name

3-(4-fluorophenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-7-(piperidine-1-carbonyl)-34-dihydroquinazolin-4-one

SMILES

Cc1c(CSC(N2c(cc3)ccc3F)=Nc(cc(cc3)C(N4CCCCC4)=O)c3C2=O)cccc1

InChI

InChI=1S/C28H26FN3O2S/c1-19-7-3-4-8-21(19)18-35-28-30-25-17-20(26(33)31-15-5-2-6-16-31)9-14-24(25)27(34)32(28)23-12-10-22(29)11-13-23/h3-4,7-14,17H,2,5-6,15-16,18H2,1H3

InChI Key

RHXGDEXVBKQVAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15041808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.155

Distribution Coefficient, logD

5.154

Water Solubility, LogSw

-4.85

Polar Surface Area

41.808

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G858-0468 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G858-0468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G858-0468?
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What is the minimum amount of G858-0468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G858-0468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G858-0468
  • 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 G858-0468 available by request