G858-0434 Screening compound: 3-(3,5-dimethoxyphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide

G858-0434 Screening compound: 3-(3,5-dimethoxyphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
G858-0434 Screening compound: 3-(3,5-dimethoxyphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G858-0434
3-(3,5-dimethoxyphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide

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

G858-0434

Molecular Formula

C29H31N3O4S (C29 H31 N3 O4 S)

Compound Name

3-(3,5-dimethoxyphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-N-(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

3-(35-dimethoxyphenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-N-(2-methylpropyl)-4-oxo-34-dihydroquinazoline-7-carboxamide

SMILES

CC(C)CNC(c(cc1)cc(N=C(N2c3cc(OC)cc(OC)c3)SCc3c(C)cccc3)c1C2=O)=O

InChI

InChI=1S/C29H31N3O4S/c1-18(2)16-30-27(33)20-10-11-25-26(12-20)31-29(37-17-21-9-7-6-8-19(21)3)32(28(25)34)22-13-23(35-4)15-24(14-22)36-5/h6-15,18H,16-17H2,1-5H3,(H,30,33)

InChI Key

JUIBROFIOQRZFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15041778

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.779

Distribution Coefficient, logD

5.779

Water Solubility, LogSw

-5.46

Polar Surface Area

64.932

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

G858-0434 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 G858-0434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G858-0434?
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What is the minimum amount of G858-0434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G858-0434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G858-0434
  • 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 G858-0434 available by request