G859-0104 Screening compound: 3-(3,5-dimethylphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-7-(pyrrolidine-1-carbonyl)-3,4-dihydroquinazolin-4-one

G859-0104 Screening compound: 3-(3,5-dimethylphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-7-(pyrrolidine-1-carbonyl)-3,4-dihydroquinazolin-4-one
G859-0104 Screening compound: 3-(3,5-dimethylphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-7-(pyrrolidine-1-carbonyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G859-0104
3-(3,5-dimethylphenyl)-2-{[(2-fluorophenyl)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

G859-0104

Molecular Formula

C28H26FN3O2S (C28 H26 FN3 O2 S)

Compound Name

3-(3,5-dimethylphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-7-(pyrrolidine-1-carbonyl)-3,4-dihydroquinazolin-4-one

IUPAC name

3-(35-dimethylphenyl)-2-{[(2-fluorophenyl)methyl]sulfanyl}-7-(pyrrolidine-1-carbonyl)-34-dihydroquinazolin-4-one

SMILES

Cc1cc(N2C(SCc(cccc3)c3F)=Nc(cc(cc3)C(N4CCCC4)=O)c3C2=O)cc(C)c1

InChI

InChI=1S/C28H26FN3O2S/c1-18-13-19(2)15-22(14-18)32-27(34)23-10-9-20(26(33)31-11-5-6-12-31)16-25(23)30-28(32)35-17-21-7-3-4-8-24(21)29/h3-4,7-10,13-16H,5-6,11-12,17H2,1-2H3

InChI Key

CXSZJWQWEIDVCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15041939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.6

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

5.360

Distribution Coefficient, logD

5.356

Water Solubility, LogSw

-5.30

Polar Surface Area

42.174

Acid Dissociation Constant (pKa)

27.66

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

G859-0104 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 G859-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G859-0104?
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What is the minimum amount of G859-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G859-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G859-0104
  • 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 G859-0104 available by request