2766-0231 Screening compound: 3-cyclopentyl-2-(prop-2-en-1-ylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one

2766-0231 Screening compound: 3-cyclopentyl-2-(prop-2-en-1-ylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one
2766-0231 Screening compound: 3-cyclopentyl-2-(prop-2-en-1-ylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2766-0231
3-cyclopentyl-2-(prop-2-en-1-ylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-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

2766-0231

Molecular Formula

C24H28N2OS (C24 H28 N2 OS)

Compound Name

3-cyclopentyl-2-(prop-2-en-1-ylsulfanyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one

IUPAC name

3-cyclopentyl-2-(prop-2-en-1-ylsulfanyl)-46-dihydro-3H-spiro[benzo[h]quinazoline-51'-cyclopentan]-4-one

SMILES

C=CCSC(N1C2CCCC2)=NC(c2c(CC34CCCC4)cccc2)=C3C1=O

InChI

InChI=1S/C24H28N2OS/c1-2-15-28-23-25-21-19-12-6-3-9-17(19)16-24(13-7-8-14-24)20(21)22(27)26(23)18-10-4-5-11-18/h2-3,6,9,12,18H,1,4-5,7-8,10-11,13-16H2

InChI Key

JLOGVCOQSWWOFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01557014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.536

Distribution Coefficient, logD

5.536

Water Solubility, LogSw

-5.72

Polar Surface Area

25.774

Acid Dissociation Constant (pKa)

22.99

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

2766-0231 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 2766-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2766-0231?
Check Price and Availability of 2766-0231, 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 2766-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2766-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2766-0231
  • 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 2766-0231 available by request