A0015916 Screening compound: N-(3,5-dimethylphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide

A0015916 Screening compound: N-(3,5-dimethylphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
A0015916 Screening compound: N-(3,5-dimethylphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0015916
N-(3,5-dimethylphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-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

A0015916

Molecular Formula

C32H28N4O4S (C32 H28 N4 O4 S)

Compound Name

N-(3,5-dimethylphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

N-(35-dimethylphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-34-dihydroquinazoline-7-carboxamide

SMILES

Cc1cc(NC(c(cc2)cc(N=C(N3CCc4ccccc4)SCc4cc([N+]([O-])=O)ccc4)c2C3=O)=O)cc(C)c1

InChI

InChI=1S/C32H28N4O4S/c1-21-15-22(2)17-26(16-21)33-30(37)25-11-12-28-29(19-25)34-32(41-20-24-9-6-10-27(18-24)36(39)40)35(31(28)38)14-13-23-7-4-3-5-8-23/h3-12,15-19H,13-14,20H2,1-2H3,(H,33,37)

InChI Key

YNTPHADIZQDSIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02648980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.66

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.574

Distribution Coefficient, logD

6.574

Water Solubility, LogSw

-5.58

Polar Surface Area

82.222

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.60

A0015916 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with A0015916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0015916?
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What is the minimum amount of A0015916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0015916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0015916
  • 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 A0015916 available by request