G858-0465 Screening compound: 2-{[(4-ethenylphenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-7-(pyrrolidine-1-carbonyl)-3,4-dihydroquinazolin-4-one

G858-0465 Screening compound: 2-{[(4-ethenylphenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-7-(pyrrolidine-1-carbonyl)-3,4-dihydroquinazolin-4-one
G858-0465 Screening compound: 2-{[(4-ethenylphenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-7-(pyrrolidine-1-carbonyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G858-0465
2-{[(4-ethenylphenyl)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

G858-0465

Molecular Formula

C28H24FN3O2S (C28 H24 FN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

C=Cc1ccc(CSC(N2c(cc3)ccc3F)=Nc(cc(cc3)C(N4CCCC4)=O)c3C2=O)cc1

InChI

InChI=1S/C28H24FN3O2S/c1-2-19-5-7-20(8-6-19)18-35-28-30-25-17-21(26(33)31-15-3-4-16-31)9-14-24(25)27(34)32(28)23-12-10-22(29)11-13-23/h2,5-14,17H,1,3-4,15-16,18H2

InChI Key

WLIQEPZWJHFSCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15041805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.384

Distribution Coefficient, logD

4.384

Water Solubility, LogSw

-4.29

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

17.90

G858-0465 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G858-0465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G858-0465?
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What is the minimum amount of G858-0465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G858-0465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G858-0465
  • 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 G858-0465 available by request