G858-0453 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-7-(pyrrolidine-1-carbonyl)-3,4-dihydroquinazolin-4-one

G858-0453 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-7-(pyrrolidine-1-carbonyl)-3,4-dihydroquinazolin-4-one
G858-0453 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-7-(pyrrolidine-1-carbonyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G858-0453
2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-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

G858-0453

Molecular Formula

C26H21ClFN3O2S (C26 H21 ClFN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)cc(N=C(N2c(cc3)ccc3F)SCc(cc3)ccc3Cl)c1C2=O)N1CCCC1

InChI

InChI=1S/C26H21ClFN3O2S/c27-19-6-3-17(4-7-19)16-34-26-29-23-15-18(24(32)30-13-1-2-14-30)5-12-22(23)25(33)31(26)21-10-8-20(28)9-11-21/h3-12,15H,1-2,13-14,16H2

InChI Key

WAZWVUSCXCMIIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15041794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.99

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

4.384

Distribution Coefficient, logD

4.384

Water Solubility, LogSw

-4.61

Polar Surface Area

42.174

Acid Dissociation Constant (pKa)

27.66

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with G858-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G858-0453?
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What is the minimum amount of G858-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G858-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G858-0453
  • 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 G858-0453 available by request