G858-0476 Screening compound: 3-(4-fluorophenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-7-(piperidine-1-carbonyl)-3,4-dihydroquinazolin-4-one

G858-0476 Screening compound: 3-(4-fluorophenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-7-(piperidine-1-carbonyl)-3,4-dihydroquinazolin-4-one
G858-0476 Screening compound: 3-(4-fluorophenyl)-2-{[(4-methylphenyl)methyl]sulfanyl}-7-(piperidine-1-carbonyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G858-0476
3-(4-fluorophenyl)-2-{[(4-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

G858-0476

Molecular Formula

C28H26FN3O2S (C28 H26 FN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CSC(N2c(cc3)ccc3F)=Nc(cc(cc3)C(N4CCCCC4)=O)c3C2=O)cc1

InChI

InChI=1S/C28H26FN3O2S/c1-19-5-7-20(8-6-19)18-35-28-30-25-17-21(26(33)31-15-3-2-4-16-31)9-14-24(25)27(34)32(28)23-12-10-22(29)11-13-23/h5-14,17H,2-4,15-16,18H2,1H3

InChI Key

PPIJADPUIFISOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15041815

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

4.500

Distribution Coefficient, logD

4.500

Water Solubility, LogSw

-4.25

Polar Surface Area

41.808

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with G858-0476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G858-0476?
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What is the minimum amount of G858-0476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G858-0476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G858-0476
  • 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 G858-0476 available by request