G858-0094 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(3,5-dimethylphenyl)-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamide

G858-0094 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(3,5-dimethylphenyl)-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamide
G858-0094 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(3,5-dimethylphenyl)-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G858-0094
2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(3,5-dimethylphenyl)-4-oxo-N-propyl-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

G858-0094

Molecular Formula

C27H26ClN3O2S (C27 H26 ClN3 O2 S)

Compound Name

2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(3,5-dimethylphenyl)-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

2-{[(4-chlorophenyl)methyl]sulfanyl}-3-(35-dimethylphenyl)-4-oxo-N-propyl-34-dihydroquinazoline-7-carboxamide

SMILES

CCCNC(c(cc1)cc(N=C(N2c3cc(C)cc(C)c3)SCc(cc3)ccc3Cl)c1C2=O)=O

InChI

InChI=1S/C27H26ClN3O2S/c1-4-11-29-25(32)20-7-10-23-24(15-20)30-27(34-16-19-5-8-21(28)9-6-19)31(26(23)33)22-13-17(2)12-18(3)14-22/h5-10,12-15H,4,11,16H2,1-3H3,(H,29,32)

InChI Key

QQEINIRRQKKQMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15041525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.04

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.572

Distribution Coefficient, logD

5.572

Water Solubility, LogSw

-5.87

Polar Surface Area

49.686

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

G858-0094 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with G858-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G858-0094?
Check Price and Availability of G858-0094, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G858-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G858-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G858-0094
  • 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 G858-0094 available by request