F067-0532 Screening compound: 2-{[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-N-(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide

F067-0532 Screening compound: 2-{[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-N-(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
F067-0532 Screening compound: 2-{[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-N-(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F067-0532
2-{[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-N-(3-methylbutyl)-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

F067-0532

Molecular Formula

C29H28ClN3O4S (C29 H28 ClN3 O4 S)

Compound Name

2-{[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-N-(3-methylbutyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

2-{[2-(3-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(4-methoxyphenyl)-N-(3-methylbutyl)-4-oxo-34-dihydroquinazoline-7-carboxamide

SMILES

CC(C)CCNC(c(cc1)cc(N=C(N2c(cc3)ccc3OC)SCC(c3cccc(Cl)c3)=O)c1C2=O)=O

InChI

InChI=1S/C29H28ClN3O4S/c1-18(2)13-14-31-27(35)20-7-12-24-25(16-20)32-29(38-17-26(34)19-5-4-6-21(30)15-19)33(28(24)36)22-8-10-23(37-3)11-9-22/h4-12,15-16,18H,13-14,17H2,1-3H3,(H,31,35)

InChI Key

DSZRUPPVQFACEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14939258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.08

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.426

Distribution Coefficient, logD

5.426

Water Solubility, LogSw

-5.92

Polar Surface Area

70.477

Acid Dissociation Constant (pKa)

12.62

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

F067-0532 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

References: we are preparing a list of scientific research reports with F067-0532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F067-0532?
Check Price and Availability of F067-0532, 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 F067-0532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F067-0532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F067-0532
  • 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 F067-0532 available by request