A0015711 Screening compound: 3-benzyl-7-(morpholine-4-carbonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one

A0015711 Screening compound: 3-benzyl-7-(morpholine-4-carbonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one
A0015711 Screening compound: 3-benzyl-7-(morpholine-4-carbonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound A0015711
3-benzyl-7-(morpholine-4-carbonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one

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

A0015711

Molecular Formula

C27H24N4O5S (C27 H24 N4 O5 S)

Compound Name

3-benzyl-7-(morpholine-4-carbonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one

IUPAC name

3-benzyl-7-(morpholine-4-carbonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-34-dihydroquinazolin-4-one

SMILES

[O-][N+](c1cccc(CSC(N2Cc3ccccc3)=Nc(cc(cc3)C(N4CCOCC4)=O)c3C2=O)c1)=O

InChI

InChI=1S/C27H24N4O5S/c32-25(29-11-13-36-14-12-29)21-9-10-23-24(16-21)28-27(30(26(23)33)17-19-5-2-1-3-6-19)37-18-20-7-4-8-22(15-20)31(34)35/h1-10,15-16H,11-14,17-18H2

InChI Key

LHIYKWUWFLDBMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.620

Distribution Coefficient, logD

3.620

Water Solubility, LogSw

-3.91

Polar Surface Area

83.709

Acid Dissociation Constant (pKa)

28.82

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

A0015711 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PI3K-Targeted Library (17255 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with A0015711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0015711?
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What is the minimum amount of A0015711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0015711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0015711
  • 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 A0015711 available by request