4232-0142 Screening compound: 3-(2-phenylethyl)-2-(propan-2-ylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one

4232-0142 Screening compound: 3-(2-phenylethyl)-2-(propan-2-ylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one
4232-0142 Screening compound: 3-(2-phenylethyl)-2-(propan-2-ylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4232-0142
3-(2-phenylethyl)-2-(propan-2-ylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one

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

4232-0142

Molecular Formula

C28H32N2OS (C28 H32 N2 OS)

Compound Name

3-(2-phenylethyl)-2-(propan-2-ylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one

IUPAC name

3-(2-phenylethyl)-2-(propan-2-ylsulfanyl)-46-dihydro-3H-spiro[benzo[h]quinazoline-51'-cyclohexan]-4-one

SMILES

CC(C)SC(N1CCc2ccccc2)=NC(c2c(CC34CCCCC4)cccc2)=C3C1=O

InChI

InChI=1S/C28H32N2OS/c1-20(2)32-27-29-25-23-14-8-7-13-22(23)19-28(16-9-4-10-17-28)24(25)26(31)30(27)18-15-21-11-5-3-6-12-21/h3,5-8,11-14,20H,4,9-10,15-19H2,1-2H3

InChI Key

WSPFGJQGVIPFSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01807186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.64

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.772

Distribution Coefficient, logD

6.772

Water Solubility, LogSw

-5.55

Polar Surface Area

25.799

Acid Dissociation Constant (pKa)

23.30

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

4232-0142 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4232-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4232-0142?
Check Price and Availability of 4232-0142, 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 4232-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4232-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4232-0142
  • 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 4232-0142 available by request