A0015514 Screening compound: N-[(3-chlorophenyl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxamide

A0015514 Screening compound: N-[(3-chlorophenyl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxamide
A0015514 Screening compound: N-[(3-chlorophenyl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0015514
N-[(3-chlorophenyl)methyl]-2-{[(3-nitrophenyl)methyl]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

A0015514

Molecular Formula

C29H21ClN4O4S (C29 H21 ClN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1cccc(CSC(N2c3ccccc3)=Nc(cc(cc3)C(NCc4cccc(Cl)c4)=O)c3C2=O)c1)=O

InChI

InChI=1S/C29H21ClN4O4S/c30-22-8-4-6-19(14-22)17-31-27(35)21-12-13-25-26(16-21)32-29(33(28(25)36)23-9-2-1-3-10-23)39-18-20-7-5-11-24(15-20)34(37)38/h1-16H,17-18H2,(H,31,35)

InChI Key

QYRVJUOLUJHGBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

557.03

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.432

Distribution Coefficient, logD

5.432

Water Solubility, LogSw

-5.91

Polar Surface Area

82.954

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.90

A0015514 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with A0015514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0015514?
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What is the minimum amount of A0015514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0015514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0015514
  • 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 A0015514 available by request