G858-0466 Screening compound: 3-(4-fluorophenyl)-2-{[(3-methoxyphenyl)methyl]sulfanyl}-7-(pyrrolidine-1-carbonyl)-3,4-dihydroquinazolin-4-one

G858-0466 Screening compound: 3-(4-fluorophenyl)-2-{[(3-methoxyphenyl)methyl]sulfanyl}-7-(pyrrolidine-1-carbonyl)-3,4-dihydroquinazolin-4-one
G858-0466 Screening compound: 3-(4-fluorophenyl)-2-{[(3-methoxyphenyl)methyl]sulfanyl}-7-(pyrrolidine-1-carbonyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G858-0466
3-(4-fluorophenyl)-2-{[(3-methoxyphenyl)methyl]sulfanyl}-7-(pyrrolidine-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

G858-0466

Molecular Formula

C27H24FN3O3S (C27 H24 FN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(CSC(N2c(cc3)ccc3F)=Nc(cc(cc3)C(N4CCCC4)=O)c3C2=O)c1

InChI

InChI=1S/C27H24FN3O3S/c1-34-22-6-4-5-18(15-22)17-35-27-29-24-16-19(25(32)30-13-2-3-14-30)7-12-23(24)26(33)31(27)21-10-8-20(28)9-11-21/h4-12,15-16H,2-3,13-14,17H2,1H3

InChI Key

VCYIBNCVSRDQDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15041806

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

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.123

Distribution Coefficient, logD

4.122

Water Solubility, LogSw

-4.29

Polar Surface Area

49.718

Acid Dissociation Constant (pKa)

27.66

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with G858-0466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G858-0466?
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What is the minimum amount of G858-0466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G858-0466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G858-0466
  • 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 G858-0466 available by request