A0015594 Screening compound: N-[(3-chlorophenyl)methyl]-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-3,4-dihydroquinazoline-7-carboxamide

A0015594 Screening compound: N-[(3-chlorophenyl)methyl]-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-3,4-dihydroquinazoline-7-carboxamide
A0015594 Screening compound: N-[(3-chlorophenyl)methyl]-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0015594
N-[(3-chlorophenyl)methyl]-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-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

A0015594

Molecular Formula

C30H22ClN3O3S (C30 H22 ClN3 O3 S)

Compound Name

N-[(3-chlorophenyl)methyl]-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

N-[(3-chlorophenyl)methyl]-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-phenyl-34-dihydroquinazoline-7-carboxamide

SMILES

O=C(CSC(N1c2ccccc2)=Nc(cc(cc2)C(NCc3cccc(Cl)c3)=O)c2C1=O)c1ccccc1

InChI

InChI=1S/C30H22ClN3O3S/c31-23-11-7-8-20(16-23)18-32-28(36)22-14-15-25-26(17-22)33-30(34(29(25)37)24-12-5-2-6-13-24)38-19-27(35)21-9-3-1-4-10-21/h1-17H,18-19H2,(H,32,36)

InChI Key

VXMCZRXMHVXTLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.04

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.990

Distribution Coefficient, logD

4.990

Water Solubility, LogSw

-5.09

Polar Surface Area

62.820

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

A0015594 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 A0015594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0015594?
Check Price and Availability of A0015594, 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 A0015594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0015594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0015594
  • 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 A0015594 available by request