A0015508 Screening compound: N-(3,4-dimethoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxamide

A0015508 Screening compound: N-(3,4-dimethoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxamide
A0015508 Screening compound: N-(3,4-dimethoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0015508
N-(3,4-dimethoxyphenyl)-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

A0015508

Molecular Formula

C30H24N4O6S (C30 H24 N4 O6 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(NC(c(cc1)cc(N=C(N2c3ccccc3)SCc3cc([N+]([O-])=O)ccc3)c1C2=O)=O)c1)c1OC

InChI

InChI=1S/C30H24N4O6S/c1-39-26-14-12-21(17-27(26)40-2)31-28(35)20-11-13-24-25(16-20)32-30(33(29(24)36)22-8-4-3-5-9-22)41-18-19-7-6-10-23(15-19)34(37)38/h3-17H,18H2,1-2H3,(H,31,35)

InChI Key

OXFHKBNRSVJJST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.61

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.604

Distribution Coefficient, logD

4.601

Water Solubility, LogSw

-4.49

Polar Surface Area

96.893

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

A0015508 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 A0015508 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0015508?
Check Price and Availability of A0015508, 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 A0015508 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0015508
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0015508
  • 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 A0015508 available by request