2752-0260 Screening compound: 2-(ethylsulfanyl)-3-(4-methoxyphenyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one

2752-0260 Screening compound: 2-(ethylsulfanyl)-3-(4-methoxyphenyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one
2752-0260 Screening compound: 2-(ethylsulfanyl)-3-(4-methoxyphenyl)-4,6-dihydro-3H-spiro[benzo[h]quinazoline-5,1'-cyclopentan]-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2752-0260
2-(ethylsulfanyl)-3-(4-methoxyphenyl)-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

2752-0260

Molecular Formula

C25H26N2O2S (C25 H26 N2 O2 S)

Compound Name

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

IUPAC name

2-(ethylsulfanyl)-3-(4-methoxyphenyl)-46-dihydro-3H-spiro[benzo[h]quinazoline-51'-cyclopentan]-4-one

SMILES

CCSC(N1c(cc2)ccc2OC)=NC(c2c(CC34CCCC4)cccc2)=C3C1=O

InChI

InChI=1S/C25H26N2O2S/c1-3-30-24-26-22-20-9-5-4-8-17(20)16-25(14-6-7-15-25)21(22)23(28)27(24)18-10-12-19(29-2)13-11-18/h4-5,8-13H,3,6-7,14-16H2,1-2H3

InChI Key

FDDIQTJFBGCJGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01175008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.346

Distribution Coefficient, logD

5.324

Water Solubility, LogSw

-5.27

Polar Surface Area

33.119

Acid Dissociation Constant (pKa)

22.99

Base Dissociation Constant (pKb)

6.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

2752-0260 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with 2752-0260 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2752-0260?
Check Price and Availability of 2752-0260, 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 2752-0260 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2752-0260
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2752-0260
  • 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 2752-0260 available by request