A0015489 Screening compound: ethyl 2-({7-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl}sulfanyl)acetate

A0015489 Screening compound: ethyl 2-({7-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl}sulfanyl)acetate
A0015489 Screening compound: ethyl 2-({7-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound A0015489
ethyl 2-({7-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl}sulfanyl)acetate

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

A0015489

Molecular Formula

C28H25N3O4S (C28 H25 N3 O4 S)

Compound Name

ethyl 2-({7-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl}sulfanyl)acetate

IUPAC name

ethyl 2-{[4-oxo-3-phenyl-7-(1234-tetrahydroisoquinoline-2-carbonyl)-34-dihydroquinazolin-2-yl]sulfanyl}acetate

SMILES

CCOC(CSC(N1c2ccccc2)=Nc(cc(cc2)C(N(CC3)Cc4c3cccc4)=O)c2C1=O)=O

InChI

InChI=1S/C28H25N3O4S/c1-2-35-25(32)18-36-28-29-24-16-20(26(33)30-15-14-19-8-6-7-9-21(19)17-30)12-13-23(24)27(34)31(28)22-10-4-3-5-11-22/h3-13,16H,2,14-15,17-18H2,1H3

InChI Key

VHHDXAAKKGCOIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.682

Distribution Coefficient, logD

3.682

Water Solubility, LogSw

-3.89

Polar Surface Area

61.900

Acid Dissociation Constant (pKa)

25.26

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

A0015489 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 A0015489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0015489?
Check Price and Availability of A0015489, 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 A0015489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0015489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0015489
  • 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 A0015489 available by request