4184-0147 Screening compound: 3-(2-phenylethyl)-2-(prop-2-yn-1-ylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one

4184-0147 Screening compound: 3-(2-phenylethyl)-2-(prop-2-yn-1-ylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one
4184-0147 Screening compound: 3-(2-phenylethyl)-2-(prop-2-yn-1-ylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4184-0147
3-(2-phenylethyl)-2-(prop-2-yn-1-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

4184-0147

Molecular Formula

C28H28N2OS (C28 H28 N2 OS)

Compound Name

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

IUPAC name

3-(2-phenylethyl)-2-(prop-2-yn-1-ylsulfanyl)-46-dihydro-3H-spiro[benzo[h]quinazoline-51'-cyclohexan]-4-one

SMILES

C#CCSC(N1CCc2ccccc2)=NC(c2c(CC34CCCCC4)cccc2)=C3C1=O

InChI

InChI=1S/C28H28N2OS/c1-2-19-32-27-29-25-23-14-8-7-13-22(23)20-28(16-9-4-10-17-28)24(25)26(31)30(27)18-15-21-11-5-3-6-12-21/h1,3,5-8,11-14H,4,9-10,15-20H2

InChI Key

RIBHGCNTMRIMTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01175129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.149

Distribution Coefficient, logD

6.149

Water Solubility, LogSw

-5.75

Polar Surface Area

25.799

Acid Dissociation Constant (pKa)

23.30

Base Dissociation Constant (pKb)

4.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

4184-0147 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system

References: we are preparing a list of scientific research reports with 4184-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4184-0147?
Check Price and Availability of 4184-0147, 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 4184-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4184-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4184-0147
  • 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 4184-0147 available by request