D365-0142 Screening compound: 4-{[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]methyl}benzonitrile

D365-0142 Screening compound: 4-{[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]methyl}benzonitrile
D365-0142 Screening compound: 4-{[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]methyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D365-0142
4-{[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]methyl}benzonitrile

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

D365-0142

Molecular Formula

C16H15N3OS (C16 H15 N3 OS)

Compound Name

4-{[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]methyl}benzonitrile

IUPAC name

4-{[(4-oxo-345678-hexahydroquinazolin-2-yl)sulfanyl]methyl}benzonitrile

SMILES

N#Cc1ccc(CSC(N2)=NC(CCCC3)=C3C2=O)cc1

InChI

InChI=1S/C16H15N3OS/c17-9-11-5-7-12(8-6-11)10-21-16-18-14-4-2-1-3-13(14)15(20)19-16/h5-8H,1-4,10H2,(H,18,19,20)

InChI Key

GGLKEJUACHWTQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09057457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.137

Distribution Coefficient, logD

1.996

Water Solubility, LogSw

-2.73

Polar Surface Area

51.528

Acid Dissociation Constant (pKa)

7.82

Base Dissociation Constant (pKb)

3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

D365-0142 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D365-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D365-0142?
Check Price and Availability of D365-0142, 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 D365-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D365-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D365-0142
  • 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 D365-0142 available by request