D468-0745 Screening compound: 1-[(furan-2-yl)methyl]-4-{[(3-methylphenyl)methyl]sulfanyl}-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one

D468-0745 Screening compound: 1-[(furan-2-yl)methyl]-4-{[(3-methylphenyl)methyl]sulfanyl}-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one
D468-0745 Screening compound: 1-[(furan-2-yl)methyl]-4-{[(3-methylphenyl)methyl]sulfanyl}-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D468-0745
1-[(furan-2-yl)methyl]-4-{[(3-methylphenyl)methyl]sulfanyl}-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-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

D468-0745

Molecular Formula

C20H20N2O2S (C20 H20 N2 O2 S)

Compound Name

1-[(furan-2-yl)methyl]-4-{[(3-methylphenyl)methyl]sulfanyl}-1H,2H,5H,6H,7H-cyclopenta[d]pyrimidin-2-one

IUPAC name

1-[(furan-2-yl)methyl]-4-{[(3-methylphenyl)methyl]sulfanyl}-1H2H5H6H7H-cyclopenta[d]pyrimidin-2-one

SMILES

Cc1cccc(CSC(C(CCC2)=C2N2Cc3ccco3)=NC2=O)c1

InChI

InChI=1S/C20H20N2O2S/c1-14-5-2-6-15(11-14)13-25-19-17-8-3-9-18(17)22(20(23)21-19)12-16-7-4-10-24-16/h2,4-7,10-11H,3,8-9,12-13H2,1H3

InChI Key

ZAKWCXYPVZUPGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08020683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.322

Distribution Coefficient, logD

4.322

Water Solubility, LogSw

-4.36

Polar Surface Area

32.235

Acid Dissociation Constant (pKa)

22.45

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

D468-0745 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D468-0745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D468-0745?
Check Price and Availability of D468-0745, 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 D468-0745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D468-0745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D468-0745
  • 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 D468-0745 available by request