A0015573 Screening compound: N-[(2-chlorophenyl)methyl]-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxamide

A0015573 Screening compound: N-[(2-chlorophenyl)methyl]-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxamide
A0015573 Screening compound: N-[(2-chlorophenyl)methyl]-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0015573
N-[(2-chlorophenyl)methyl]-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-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

A0015573

Molecular Formula

C28H26ClN3O3S (C28 H26 ClN3 O3 S)

Compound Name

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

IUPAC name

N-[(2-chlorophenyl)methyl]-2-[(33-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-phenyl-34-dihydroquinazoline-7-carboxamide

SMILES

CC(C)(C)C(CSC(N1c2ccccc2)=Nc(cc(cc2)C(NCc(cccc3)c3Cl)=O)c2C1=O)=O

InChI

InChI=1S/C28H26ClN3O3S/c1-28(2,3)24(33)17-36-27-31-23-15-18(25(34)30-16-19-9-7-8-12-22(19)29)13-14-21(23)26(35)32(27)20-10-5-4-6-11-20/h4-15H,16-17H2,1-3H3,(H,30,34)

InChI Key

RFIUKFGZHFWYGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.05

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

5.181

Distribution Coefficient, logD

5.181

Water Solubility, LogSw

-5.39

Polar Surface Area

63.091

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

A0015573 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with A0015573 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0015573?
Check Price and Availability of A0015573, 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 A0015573 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0015573
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0015573
  • 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 A0015573 available by request