G858-0513 Screening compound: 3-(4-fluorophenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-7-(morpholine-4-carbonyl)-3,4-dihydroquinazolin-4-one

G858-0513 Screening compound: 3-(4-fluorophenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-7-(morpholine-4-carbonyl)-3,4-dihydroquinazolin-4-one
G858-0513 Screening compound: 3-(4-fluorophenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-7-(morpholine-4-carbonyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G858-0513
3-(4-fluorophenyl)-2-{[(3-fluorophenyl)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

G858-0513

Molecular Formula

C26H21F2N3O3S (C26 H21 F2 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)cc(N=C(N2c(cc3)ccc3F)SCc3cc(F)ccc3)c1C2=O)N1CCOCC1

InChI

InChI=1S/C26H21F2N3O3S/c27-19-5-7-21(8-6-19)31-25(33)22-9-4-18(24(32)30-10-12-34-13-11-30)15-23(22)29-26(31)35-16-17-2-1-3-20(28)14-17/h1-9,14-15H,10-13,16H2

InChI Key

AZCPJKIZQPWSHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11993643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.53

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

3.318

Distribution Coefficient, logD

3.318

Water Solubility, LogSw

-3.67

Polar Surface Area

49.716

Acid Dissociation Constant (pKa)

28.82

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

G858-0513 in Drug Discovery

Included in Screening Libraries

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 G858-0513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G858-0513?
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What is the minimum amount of G858-0513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G858-0513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G858-0513
  • 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 G858-0513 available by request