G859-0197 Screening compound: 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(4-methoxyphenyl)-7-(pyrrolidine-1-carbonyl)-3,4-dihydroquinazolin-4-one

G859-0197 Screening compound: 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(4-methoxyphenyl)-7-(pyrrolidine-1-carbonyl)-3,4-dihydroquinazolin-4-one
G859-0197 Screening compound: 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(4-methoxyphenyl)-7-(pyrrolidine-1-carbonyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G859-0197
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(4-methoxyphenyl)-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

G859-0197

Molecular Formula

C27H23ClFN3O3S (C27 H23 ClFN3 O3 S)

Compound Name

2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(4-methoxyphenyl)-7-(pyrrolidine-1-carbonyl)-3,4-dihydroquinazolin-4-one

IUPAC name

2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-(4-methoxyphenyl)-7-(pyrrolidine-1-carbonyl)-34-dihydroquinazolin-4-one

SMILES

COc(cc1)ccc1N1C(SCc(c(F)ccc2)c2Cl)=Nc(cc(cc2)C(N3CCCC3)=O)c2C1=O

InChI

InChI=1S/C27H23ClFN3O3S/c1-35-19-10-8-18(9-11-19)32-26(34)20-12-7-17(25(33)31-13-2-3-14-31)15-24(20)30-27(32)36-16-21-22(28)5-4-6-23(21)29/h4-12,15H,2-3,13-14,16H2,1H3

InChI Key

RBOVQAPIAFLOOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15041990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.02

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

4.770

Distribution Coefficient, logD

4.769

Water Solubility, LogSw

-4.92

Polar Surface Area

49.718

Acid Dissociation Constant (pKa)

27.66

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

G859-0197 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G859-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G859-0197?
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What is the minimum amount of G859-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G859-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G859-0197
  • 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 G859-0197 available by request