D325-0608 Screening compound: 3-cyclopentyl-2-[(2-hydroxyethyl)sulfanyl]-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one

D325-0608 Screening compound: 3-cyclopentyl-2-[(2-hydroxyethyl)sulfanyl]-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one
D325-0608 Screening compound: 3-cyclopentyl-2-[(2-hydroxyethyl)sulfanyl]-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D325-0608
3-cyclopentyl-2-[(2-hydroxyethyl)sulfanyl]-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

D325-0608

Molecular Formula

C23H28N2O2S (C23 H28 N2 O2 S)

Compound Name

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

IUPAC name

3-cyclopentyl-2-[(2-hydroxyethyl)sulfanyl]-46-dihydro-3H-spiro[benzo[h]quinazoline-51'-cyclopentan]-4-one

SMILES

OCCSC(N1C2CCCC2)=NC(c2c(CC34CCCC4)cccc2)=C3C1=O

InChI

InChI=1S/C23H28N2O2S/c26-13-14-28-22-24-20-18-10-4-1-7-16(18)15-23(11-5-6-12-23)19(20)21(27)25(22)17-8-2-3-9-17/h1,4,7,10,17,26H,2-3,5-6,8-9,11-15H2

InChI Key

VRUDXYHFMOLLSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.55

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

3.987

Distribution Coefficient, logD

3.987

Water Solubility, LogSw

-4.16

Polar Surface Area

42.430

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.50

D325-0608 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D325-0608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D325-0608?
Check Price and Availability of D325-0608, 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 D325-0608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D325-0608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D325-0608
  • 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 D325-0608 available by request